[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-(2-nitrophenyl)acetate

Formula:C20H17N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:low [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-(2-nitrophenyl)acetate is a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-(2-nitrophenyl)acetate
MolecularFormula	C20H17N3O4
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(Cc(cccc1)c1[N+]([O-])=O)=O
InChI	InChI=1S/C20H17N3O4/c21-19(12-15-9-5-8-14-6-1-3-10-17(14)15)22-27-20(24)13-16-7-2-4-11-18(16)23(25)26/h1-11H,12-13H2,(H2,21,22)
InChIK	RTYGWIPKLJOZOG-UHFFFAOYSA-N
TotalMolweight	363.372
Molweight	363.372
MonoisotopicMass	363.121907
CLogP	3.3411
CLogS	-5.532
H Acceptors	7
H Donors	1
TotalSurfaceArea	278.05
Relative PSA	0.28858
PolarSurfaceArea	110.5
Druglikeness	-8.8495
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
AcidicOxygens	1
StereoCon

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