4-chloro-N-[2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]-3-nitrobenzamide

Formula:C20H13N4O3ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N-[2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]-3-nitrobenzamide is a drug-like molecule.

MolName	4-chloro-N-[2-(4-fluorophenyl)-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]-3-nitrobenzamide
MolecularFormula	C20H13N4O3ClF
Smiles	[O-][N+](c(cc(cc1)C(Nc2c(-c(cc3)ccc3F)[nH]c3[n+]2cccc3)=O)c1Cl)=O
InChI	InChI=1S/C20H12ClFN4O3/c21-15-9-6-13(11-16(15)26(28)29)20(27)24-19-18(12-4-7-14(22)8-5-12)23-17-3-1-2-10-25(17)19/h1-11H,(H,24,27)/p+1
InChIK	MLZIPSPTNTZUDA-UHFFFAOYSA-O
TotalMolweight	411.799
Molweight	411.799
MonoisotopicMass	411.066021
CLogP	3.0702
CLogS	-8.222
H Acceptors	7
H Donors	2
TotalSurfaceArea	267.73
Relative PSA	0.18724
PolarSurfaceArea	94.81
Druglikeness	-5.1921
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48276
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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