phenyl (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate

Formula:C15H10NO4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none phenyl (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	phenyl (E)-3-(2-chloro-5-nitrophenyl)prop-2-enoate
MolecularFormula	C15H10NO4Cl
Smiles	[O-][N+](c(cc1)cc(/C=C/C(Oc2ccccc2)=O)c1Cl)=O
InChI	InChI=1S/C15H10ClNO4/c16-14-8-7-12(17(19)20)10-11(14)6-9-15(18)21-13-4-2-1-3-5-13/h1-10H
InChIK	OMMFGDMDVADRMU-UHFFFAOYSA-N
TotalMolweight	303.7
Molweight	303.7
MonoisotopicMass	303.029836
CLogP	3.1037
CLogS	-4.652
H Acceptors	5
TotalSurfaceArea	226.36
Relative PSA	0.23617
PolarSurfaceArea	72.12
Druglikeness	-8.184
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
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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