(4-chlorophenyl) (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate

Formula:C15H9NO4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4-chlorophenyl) (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	(4-chlorophenyl) (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate
MolecularFormula	C15H9NO4Cl2
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Oc(cc2)ccc2Cl)=O)c1Cl)=O
InChI	InChI=1S/C15H9Cl2NO4/c16-11-2-5-13(6-3-11)22-15(19)8-1-10-9-12(18(20)21)4-7-14(10)17/h1-9H
InChIK	WEXXBEGRCVKUGT-UHFFFAOYSA-N
TotalMolweight	338.145
Molweight	338.145
MonoisotopicMass	336.990863
CLogP	3.7097
CLogS	-5.388
H Acceptors	5
TotalSurfaceArea	241.78
Relative PSA	0.22111
PolarSurfaceArea	72.12
Druglikeness	-8.184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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