(E)-1-(2-chlorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one

Formula:C15H10NO3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2-chlorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2-chlorophenyl)-3-(2-nitrophenyl)prop-2-en-1-one
MolecularFormula	C15H10NO3Cl
Smiles	[O-][N+](c1c(/C=C/C(c(cccc2)c2Cl)=O)cccc1)=O
InChI	InChI=1S/C15H10ClNO3/c16-13-7-3-2-6-12(13)15(18)10-9-11-5-1-4-8-14(11)17(19)20/h1-10H
InChIK	KAXAXONDFJZQEM-UHFFFAOYSA-N
TotalMolweight	287.701
Molweight	287.701
MonoisotopicMass	287.034921
CLogP	2.9882
CLogS	-5.036
H Acceptors	4
TotalSurfaceArea	216.36
Relative PSA	0.20087
PolarSurfaceArea	62.89
Druglikeness	-4.945
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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