(E)-2-(3-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid

Formula:C15H10NO4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-(3-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-2-(3-chlorophenyl)-3-(2-nitrophenyl)prop-2-enoic acid
MolecularFormula	C15H10NO4Cl
Smiles	[O-][N+](c1c(/C=C(/C(O)=O)\c2cccc(Cl)c2)cccc1)=O
InChI	InChI=1S/C15H10ClNO4/c16-12-6-3-5-10(8-12)13(15(18)19)9-11-4-1-2-7-14(11)17(20)21/h1-9H,(H,18,19)
InChIK	MHGFCRVKOVMQNP-UHFFFAOYSA-N
TotalMolweight	303.7
Molweight	303.7
MonoisotopicMass	303.029836
CLogP	2.4951
CLogS	-4.152
H Acceptors	5
H Donors	1
TotalSurfaceArea	220.92
Relative PSA	0.25602
PolarSurfaceArea	83.12
Druglikeness	-4.6722
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47619
Fragments	1
Non HAtoms	21
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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