[(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 3-chlorobenzoate

Formula:C14H9N4O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 3-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[amino(2,1,3-benzoxadiazol-5-yl)methylidene]amino] 3-chlorobenzoate
MolecularFormula	C14H9N4O3Cl
Smiles	N/C(/c1cc2nonc2cc1)=N/OC(c1cccc(Cl)c1)=O
InChI	InChI=1S/C14H9ClN4O3/c15-10-3-1-2-9(6-10)14(20)21-19-13(16)8-4-5-11-12(7-8)18-22-17-11/h1-7H,(H2,16,19)
InChIK	LXHBVUFDBMTCEZ-UHFFFAOYSA-N
TotalMolweight	316.703
Molweight	316.703
MonoisotopicMass	316.036318
CLogP	3.6288
CLogS	-3.911
H Acceptors	7
H Donors	1
TotalSurfaceArea	229.49
Relative PSA	0.37418
PolarSurfaceArea	103.6
Druglikeness	-1.5588
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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