2-chloro-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C16H10NO3Cl3 Mutagenic:none Tumorigenic:high Reproductive Effective:none 2-chloro-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-chloro-5-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C16H10NO3Cl3
Smiles	OC(c(cc(cc1)NC(/C=C/c(ccc(Cl)c2)c2Cl)=O)c1Cl)=O
InChI	InChI=1S/C16H10Cl3NO3/c17-10-3-1-9(14(19)7-10)2-6-15(21)20-11-4-5-13(18)12(8-11)16(22)23/h1-8H,(H,20,21)(H,22,23)
InChIK	DDYDYJYCXBRLJM-UHFFFAOYSA-N
TotalMolweight	370.618
Molweight	370.618
MonoisotopicMass	368.972625
CLogP	4.4394
CLogS	-5.719
H Acceptors	4
H Donors	2
TotalSurfaceArea	259.09
Relative PSA	0.19545
PolarSurfaceArea	66.4
Druglikeness	-0.40752
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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