[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-phenylsulfanylacetate

Formula:C20H18N2O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-phenylsulfanylacetate is a drug-like molecule.

MolName	[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-phenylsulfanylacetate
MolecularFormula	C20H18N2O2S
Smiles	N/C(/Cc1cccc2ccccc12)=N/OC(CSc1ccccc1)=O
InChI	InChI=1S/C20H18N2O2S/c21-19(13-16-9-6-8-15-7-4-5-12-18(15)16)22-24-20(23)14-25-17-10-2-1-3-11-17/h1-12H,13-14H2,(H2,21,22)
InChIK	WQRIJFDIVLAEFU-UHFFFAOYSA-N
TotalMolweight	350.441
Molweight	350.441
MonoisotopicMass	350.108898
CLogP	4.4774
CLogS	-5.649
H Acceptors	4
H Donors	1
TotalSurfaceArea	271.87
Relative PSA	0.24758
PolarSurfaceArea	89.98
Druglikeness	-2.0876
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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

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