N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-4-nitrobenzamide

Formula:C15H10N5O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chloro-4-nitrobenzamide
MolecularFormula	C15H10N5O4Cl
Smiles	N/C(/NC(c(cc1)cc(Cl)c1[N+]([O-])=O)=O)=N/c1nc(cccc2)c2o1
InChI	InChI=1S/C15H10ClN5O4/c16-9-7-8(5-6-11(9)21(23)24)13(22)19-14(17)20-15-18-10-3-1-2-4-12(10)25-15/h1-7H,(H3,17,18,19,20,22)
InChIK	FOZCDKGEZZOIQN-UHFFFAOYSA-N
TotalMolweight	359.728
Molweight	359.728
MonoisotopicMass	359.042132
CLogP	2.1997
CLogS	-5.696
H Acceptors	9
H Donors	2
TotalSurfaceArea	255.86
Relative PSA	0.41734
PolarSurfaceArea	139.33
Druglikeness	-3.8703
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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