[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] thiophene-2-carboxylate

Formula:C17H14N2O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] thiophene-2-carboxylate is a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] thiophene-2-carboxylate
MolecularFormula	C17H14N2O2S
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(c1cccs1)=O
InChI	InChI=1S/C17H14N2O2S/c18-16(19-21-17(20)15-9-4-10-22-15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H2,18,19)
InChIK	HUYVLVWVLPXXIS-UHFFFAOYSA-N
TotalMolweight	310.376
Molweight	310.376
MonoisotopicMass	310.077598
CLogP	4.1312
CLogS	-5.117
H Acceptors	4
H Donors	1
TotalSurfaceArea	236.56
Relative PSA	0.29667
PolarSurfaceArea	92.92
Druglikeness	-0.195
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
StereoCon

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1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] thiophene-2-carboxylate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] thiophene-2-carboxylate

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