[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 1,3-benzodioxole-5-carboxylate

Formula:C20H16N2O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 1,3-benzodioxole-5-carboxylate is a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C20H16N2O4
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C20H16N2O4/c21-19(11-14-6-3-5-13-4-1-2-7-16(13)14)22-26-20(23)15-8-9-17-18(10-15)25-12-24-17/h1-10H,11-12H2,(H2,21,22)
InChIK	FUMKFQKEOWMFRE-UHFFFAOYSA-N
TotalMolweight	348.357
Molweight	348.357
MonoisotopicMass	348.111008
CLogP	4.376
CLogS	-5.818
H Acceptors	6
H Donors	1
TotalSurfaceArea	260.88
Relative PSA	0.26763
PolarSurfaceArea	83.14
Druglikeness	-2.802
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
StereoCon

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1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 1,3-benzodioxole-5-carboxylate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 1,3-benzodioxole-5-carboxylate

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