[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-2-carboxylate

Formula:C19H15N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-2-carboxylate
MolecularFormula	C19H15N3O4
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c1cc2ccccc2cc1)=O
InChI	InChI=1S/C19H15N3O4/c20-18(11-13-5-9-17(10-6-13)22(24)25)21-26-19(23)16-8-7-14-3-1-2-4-15(14)12-16/h1-10,12H,11H2,(H2,20,21)
InChIK	QVTSUBMFNQGAPL-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	0.65385
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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1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-2-carboxylate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] naphthalene-2-carboxylate

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