| Drug Name |
N-(naphthylamino)-benzoate derivative 1
|
| Synonyms |
PMID28895472-Compound-28 |
| Drug Type |
Small molecular drug
|
| Structure |
|
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|
3D MOL
|
2D MOL
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| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
308.29 |
|
| Logarithm of the Partition Coefficient (xlogp) |
4.1 |
| Rotatable Bond Count (rotbonds) |
3 |
| Hydrogen Bond Donor Count (hbonddonor) |
2 |
| Hydrogen Bond Acceptor Count (hbondacc) |
5 |
| Chemical Identifiers |
- Formula
- C17H12N2O4
- IUPAC Name
3-[(4-nitronaphthalen-1-yl)amino]benzoic acid - Canonical SMILES
-
C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])NC3=CC=CC(=C3)C(=O)O
- InChI
-
InChI=1S/C17H12N2O4/c20-17(21)11-4-3-5-12(10-11)18-15-8-9-16(19(22)23)14-7-2-1-6-13(14)15/h1-10,18H,(H,20,21)
- InChIKey
-
ZLIDMWNTWSBTSM-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 56851703
- TTD ID
- D0M6LX
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