[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate

Formula:C23H16N4O4 Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate is a drug-like molecule.

MolName	[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
MolecularFormula	C23H16N4O4
Smiles	N/C(/c1cccc([N+]([O-])=O)c1)=N/OC(c1cc(-c2ccccc2)nc2ccccc12)=O
InChI	InChI=1S/C23H16N4O4/c24-22(16-9-6-10-17(13-16)27(29)30)26-31-23(28)19-14-21(15-7-2-1-3-8-15)25-20-12-5-4-11-18(19)20/h1-14H,(H2,24,26)
InChIK	BYXATFOBLPNWQM-UHFFFAOYSA-N
TotalMolweight	412.404
Molweight	412.404
MonoisotopicMass	412.117156
CLogP	4.2167
CLogS	-6.48
H Acceptors	8
H Donors	1
TotalSurfaceArea	309.05
Relative PSA	0.29513
PolarSurfaceArea	123.39
Druglikeness	-7.8089
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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