2-[[(E)-2-cyano-3-[4-(2,4-dichlorobenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid

Formula:C24H14N2O5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[(E)-2-cyano-3-[4-(2,4-dichlorobenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-[4-(2,4-dichlorobenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C24H14N2O5Cl2
Smiles	N#C/C(/C(Nc(cccc1)c1C(O)=O)=O)=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C24H14Cl2N2O5/c25-16-7-10-18(20(26)12-16)24(32)33-17-8-5-14(6-9-17)11-15(13-27)22(29)28-21-4-2-1-3-19(21)23(30)31/h1-12H,(H,28,29)(H,30,31)
InChIK	URSOZQBCFPUGHR-UHFFFAOYSA-N
TotalMolweight	481.29
Molweight	481.29
MonoisotopicMass	480.027977
CLogP	5.1159
CLogS	-6.725
H Acceptors	7
H Donors	2
TotalSurfaceArea	351.1
Relative PSA	0.24848
PolarSurfaceArea	116.49
Druglikeness	-1.7598
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-cyano-3-[4-(2,4-dichlorobenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-2-cyano-3-[4-(2,4-dichlorobenzoyl)oxyphenyl]prop-2-enoyl]amino]benzoic acid

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