[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-nitrobenzoate

Formula:C19H15N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-nitrobenzoate is a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 4-nitrobenzoate
MolecularFormula	C19H15N3O4
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(c(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C19H15N3O4/c20-18(12-15-6-3-5-13-4-1-2-7-17(13)15)21-26-19(23)14-8-10-16(11-9-14)22(24)25/h1-11H,12H2,(H2,20,21)
InChIK	JDHJRNANRYUJMA-UHFFFAOYSA-N
TotalMolweight	349.345
Molweight	349.345
MonoisotopicMass	349.106257
CLogP	3.343
CLogS	-5.567
H Acceptors	7
H Donors	1
TotalSurfaceArea	264.29
Relative PSA	0.30361
PolarSurfaceArea	110.5
Druglikeness	-7.8567
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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