[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2,4-dichlorobenzoate

Formula:C19H14N2O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2,4-dichlorobenzoate
MolecularFormula	C19H14N2O2Cl2
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(c(ccc(Cl)c1)c1Cl)=O
InChI	InChI=1S/C19H14Cl2N2O2/c20-14-8-9-16(17(21)11-14)19(24)25-23-18(22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11H,10H2,(H2,22,23)
InChIK	KWZDXZCKEWOUTI-UHFFFAOYSA-N
TotalMolweight	373.238
Molweight	373.238
MonoisotopicMass	372.043232
CLogP	5.4766
CLogS	-6.579
H Acceptors	4
H Donors	1
TotalSurfaceArea	271.46
Relative PSA	0.18353
PolarSurfaceArea	64.68
Druglikeness	-2.7303
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
StereoCon

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1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2,4-dichlorobenzoate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2,4-dichlorobenzoate

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