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

Formula:C15H11N2O2BrCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 3-bromobenzoate is not a drug-like molecule.

MolName	[(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 3-bromobenzoate
MolecularFormula	C15H11N2O2BrCl2
Smiles	N/C(/Cc(cc1)cc(Cl)c1Cl)=N/OC(c1cccc(Br)c1)=O
InChI	InChI=1S/C15H11BrCl2N2O2/c16-11-3-1-2-10(8-11)15(21)22-20-14(19)7-9-4-5-12(17)13(18)6-9/h1-6,8H,7H2,(H2,19,20)
InChIK	HFUFNTNWRZYKNG-UHFFFAOYSA-N
TotalMolweight	402.074
Molweight	402.074
MonoisotopicMass	399.938093
CLogP	5.0074
CLogS	-5.807
H Acceptors	4
H Donors	1
TotalSurfaceArea	255.49
Relative PSA	0.195
PolarSurfaceArea	64.68
Druglikeness	-4.5203
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-(3,4-dichlorophenyl)ethylidene]amino] 3-bromobenzoate | 2 - [(E)-[1-amino-2-(3,4-dichlorophenyl)ethylidene]amino] 3-bromobenzoate

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