2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]iminomethyl]-4-nitrophenolate

Formula:C20H12N3O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]iminomethyl]-4-nitrophenolate is a drug-like molecule.

MolName	2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]iminomethyl]-4-nitrophenolate
MolecularFormula	C20H12N3O4Cl2
Smiles	[O-]c(cc1)c(/C=N/c(cc2)ccc2NC(c(ccc(Cl)c2)c2Cl)=O)cc1[N+]([O-])=O
InChI	InChI=1S/C20H13Cl2N3O4/c21-13-1-7-17(18(22)10-13)20(27)24-15-4-2-14(3-5-15)23-11-12-9-16(25(28)29)6-8-19(12)26/h1-11,26H,(H,24,27)/p-1
InChIK	ZNFGQRAUUMVOFW-UHFFFAOYSA-M
TotalMolweight	429.238
Molweight	429.238
MonoisotopicMass	428.020486
CLogP	2.5476
CLogS	-6.306
H Acceptors	7
H Donors	1
TotalSurfaceArea	308.79
Relative PSA	0.26138
PolarSurfaceArea	110.34
Druglikeness	-3.7489
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]iminomethyl]-4-nitrophenolate | 2 - 2-[[4-[(2,4-dichlorobenzoyl)amino]phenyl]iminomethyl]-4-nitrophenolate

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