[(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate

Formula:C14H10N5O3Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate is a drug-like molecule.

MolName	[(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
MolecularFormula	C14H10N5O3Cl
Smiles	N/C(/c1cc2nonc2cc1)=N/OC(Nc1cccc(Cl)c1)=O
InChI	InChI=1S/C14H10ClN5O3/c15-9-2-1-3-10(7-9)17-14(21)22-20-13(16)8-4-5-11-12(6-8)19-23-18-11/h1-7H,(H2,16,20)(H,17,21)
InChIK	KTHQAEABMNJULY-UHFFFAOYSA-N
TotalMolweight	331.718
Molweight	331.718
MonoisotopicMass	331.047217
CLogP	3.6227
CLogS	-4.427
H Acceptors	8
H Donors	2
TotalSurfaceArea	240.95
Relative PSA	0.40394
PolarSurfaceArea	115.63
Druglikeness	-4.6478
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
StereoCon

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