[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 3-chlorobenzoate

Formula:C15H11N2O2Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 3-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 3-chlorobenzoate
MolecularFormula	C15H11N2O2Cl3
Smiles	N/C(/Cc(ccc(Cl)c1)c1Cl)=N/OC(c1cc(Cl)ccc1)=O
InChI	InChI=1S/C15H11Cl3N2O2/c16-11-3-1-2-10(6-11)15(21)22-20-14(19)7-9-4-5-12(17)8-13(9)18/h1-6,8H,7H2,(H2,19,20)
InChIK	MKMKZLHPDGQFNF-UHFFFAOYSA-N
TotalMolweight	357.623
Molweight	357.623
MonoisotopicMass	355.988609
CLogP	4.8882
CLogS	-5.709
H Acceptors	4
H Donors	1
TotalSurfaceArea	252.28
Relative PSA	0.19748
PolarSurfaceArea	64.68
Druglikeness	-2.7303
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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1 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 3-chlorobenzoate | 2 - [(E)-[1-amino-2-(2,4-dichlorophenyl)ethylidene]amino] 3-chlorobenzoate

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