[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 1,3-benzodioxole-5-carboxylate

Formula:C16H13N3O6 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C16H13N3O6
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C16H13N3O6/c17-15(7-10-1-4-12(5-2-10)19(21)22)18-25-16(20)11-3-6-13-14(8-11)24-9-23-13/h1-6,8H,7,9H2,(H2,17,18)
InChIK	IQCSKMWGUHXKQY-UHFFFAOYSA-N
TotalMolweight	343.294
Molweight	343.294
MonoisotopicMass	343.080437
CLogP	2.26
CLogS	-4.672
H Acceptors	9
H Donors	1
TotalSurfaceArea	249.95
Relative PSA	0.40104
PolarSurfaceArea	128.96
Druglikeness	-7.8103
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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