[(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate

Formula:C17H16N3O2ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.

MolName	[(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate
MolecularFormula	C17H16N3O2ClS2
Smiles	N/C(/c1ccc(C2SCCS2)cc1)=N/OC(Nc(cc1)ccc1Cl)=O
InChI	InChI=1S/C17H16ClN3O2S2/c18-13-5-7-14(8-6-13)20-17(22)23-21-15(19)11-1-3-12(4-2-11)16-24-9-10-25-16/h1-8,16H,9-10H2,(H2,19,21)(H,20,22)
InChIK	AXONEUYYSVXIFW-UHFFFAOYSA-N
TotalMolweight	393.918
Molweight	393.918
MonoisotopicMass	393.037244
CLogP	4.2956
CLogS	-5.945
H Acceptors	5
H Donors	2
TotalSurfaceArea	280.64
Relative PSA	0.343
PolarSurfaceArea	127.31
Druglikeness	-8.6734
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amides	1
StereoCon

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1 - [(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-[amino-[4-(1,3-dithiolan-2-yl)phenyl]methylidene]amino] N-(4-chlorophenyl)carbamate

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