5-nitro-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]furan-2-carboxamide

Formula:C15H9N4O4F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-nitro-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]furan-2-carboxamide is a drug-like molecule.

MolName	5-nitro-N-[(E)-2-[5-(trifluoromethyl)benzimidazol-1-yl]ethenyl]furan-2-carboxamide
MolecularFormula	C15H9N4O4F3
Smiles	[O-][N+](c1ccc(C(N/C=C/n2c(ccc(C(F)(F)F)c3)c3nc2)=O)o1)=O
InChI	InChI=1S/C15H9F3N4O4/c16-15(17,18)9-1-2-11-10(7-9)20-8-21(11)6-5-19-14(23)12-3-4-13(26-12)22(24)25/h1-8H,(H,19,23)
InChIK	HWYWUPQPTUXITR-UHFFFAOYSA-N
TotalMolweight	366.254
Molweight	366.254
MonoisotopicMass	366.05759
CLogP	1.216
CLogS	-4.657
H Acceptors	8
H Donors	1
TotalSurfaceArea	254.11
Relative PSA	0.34186
PolarSurfaceArea	105.88
Druglikeness	-7.6572
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	14
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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