(E)-N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(4-nitrophenyl)prop-2-enamide

Formula:C17H13N5O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C17H13N5O4
Smiles	N/C(/NC(/C=C/c(cc1)ccc1[N+]([O-])=O)=O)=N/c1nc(cccc2)c2o1
InChI	InChI=1S/C17H13N5O4/c18-16(21-17-19-13-3-1-2-4-14(13)26-17)20-15(23)10-7-11-5-8-12(9-6-11)22(24)25/h1-10H,(H3,18,19,20,21,23)
InChIK	JZJSSEXELMZAAB-UHFFFAOYSA-N
TotalMolweight	351.321
Molweight	351.321
MonoisotopicMass	351.096755
CLogP	1.9229
CLogS	-5.33
H Acceptors	9
H Donors	2
TotalSurfaceArea	266.94
Relative PSA	0.40001
PolarSurfaceArea	139.33
Druglikeness	-5.0144
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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