[(E)-[amino(1,3-benzodioxol-5-yl)methylidene]amino] 3,4-dichlorobenzoate

Formula:C15H10N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino(1,3-benzodioxol-5-yl)methylidene]amino] 3,4-dichlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino(1,3-benzodioxol-5-yl)methylidene]amino] 3,4-dichlorobenzoate
MolecularFormula	C15H10N2O4Cl2
Smiles	N/C(/c(cc1)cc2c1OCO2)=N/OC(c(cc1)cc(Cl)c1Cl)=O
InChI	InChI=1S/C15H10Cl2N2O4/c16-10-3-1-9(5-11(10)17)15(20)23-19-14(18)8-2-4-12-13(6-8)22-7-21-12/h1-6H,7H2,(H2,18,19)
InChIK	UMVYMGQYUFWUCQ-UHFFFAOYSA-N
TotalMolweight	353.16
Molweight	353.16
MonoisotopicMass	352.001762
CLogP	4.3955
CLogS	-5.719
H Acceptors	6
H Donors	1
TotalSurfaceArea	243.36
Relative PSA	0.2869
PolarSurfaceArea	83.14
Druglikeness	-2.6469
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

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