(E)-3-(2-aminophenyl)-2-(4-chlorophenyl)prop-2-enoic acid

Formula:C15H12NO2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(2-aminophenyl)-2-(4-chlorophenyl)prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-(2-aminophenyl)-2-(4-chlorophenyl)prop-2-enoic acid
MolecularFormula	C15H12NO2Cl
Smiles	Nc1c(/C=C(/C(O)=O)\c(cc2)ccc2Cl)cccc1
InChI	InChI=1S/C15H12ClNO2/c16-12-7-5-10(6-8-12)13(15(18)19)9-11-3-1-2-4-14(11)17/h1-9H,17H2,(H,18,19)
InChIK	NVUPTMBFVVWOLS-UHFFFAOYSA-N
TotalMolweight	273.718
Molweight	273.718
MonoisotopicMass	273.055656
CLogP	2.7394
CLogS	-3.768
H Acceptors	3
H Donors	2
TotalSurfaceArea	205.77
Relative PSA	0.20124
PolarSurfaceArea	63.32
Druglikeness	0.56142
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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