Drug Name |
ACMC-1AKLT
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Synonyms |
Maybridge1_006885; PubChem8688; SCHEMBL307508; ZINC57916; 2H-1-Benzopyran-2-one, 7-hydroxy-4-(trifluoromethyl)-; 4-(Trifluoromethyl)umbelliferone; 4-(trifluoromethyl)umbeilliferone; 575-03-1; 7,4-Hfc; 7-Hydroxy-4-(trifluoromethyl)-2H-chromen-2-one; 7-Hydroxy-4-(trifluoromethyl)coumarin; 7-Hydroxy-4-trifluoromethyl-chromen-2-one; 7-Hydroxy-4-trifluoromethylcoumarin; 7-hydroxy-4-(trifluoromethyl)chromen-2-one; AC1NT9P6; AC1Q795W; CCKWMCUOHJAVOL-UHFFFAOYSA-N; CHEMBL104679; CTK5A6979; HMS561A21; MFCD00037578; TFMU
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Structure |
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3D MOL
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2D MOL
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#Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
230.14 |
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Logarithm of the Partition Coefficient (xlogp) |
2.4 |
Rotatable Bond Count (rotbonds) |
0 |
Hydrogen Bond Donor Count (hbonddonor) |
1 |
Hydrogen Bond Acceptor Count (hbondacc) |
6 |
Chemical Identifiers |
- Formula
- C10H5F3O3
- IUPAC Name
7-hydroxy-4-(trifluoromethyl)chromen-2-one
- Canonical SMILES
-
C1=CC2=C(C=C1O)OC(=O)C=C2C(F)(F)F
- InChI
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CCKWMCUOHJAVOL-UHFFFAOYSA-N
- InChIKey
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1S/C10H5F3O3/c11-10(12,13)7-4-9(15)16-8-3-5(14)1-2-6(7)8/h1-4,14H
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Cross-matching ID |
- PubChem CID
- 5375667
- CAS Number
-
- INTEDE ID
- DR1937
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