(E)-1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-nitroanilino)prop-2-en-1-one

Formula:C15H10N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-nitroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-nitroanilino)prop-2-en-1-one
MolecularFormula	C15H10N2O4Cl2
Smiles	[O-][N+](c(cc1)cc(N/C=C/C(c(cc2)cc(Cl)c2Cl)=O)c1O)=O
InChI	InChI=1S/C15H10Cl2N2O4/c16-11-3-1-9(7-12(11)17)14(20)5-6-18-13-8-10(19(22)23)2-4-15(13)21/h1-8,18,21H
InChIK	PPLNHBJAIHQYCZ-UHFFFAOYSA-N
TotalMolweight	353.16
Molweight	353.16
MonoisotopicMass	352.001762
CLogP	2.4192
CLogS	-5.422
H Acceptors	6
H Donors	2
TotalSurfaceArea	249.59
Relative PSA	0.27253
PolarSurfaceArea	95.15
Druglikeness	-4.4579
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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