2-chloro-N-[(1S)-2,2,2-trichloro-1-(pyridin-1-ium-2-ylamino)ethyl]benzamide

Formula:C14H12N3OCl4 Mutagenic:high Tumorigenic:low Reproductive Effective:high 2-chloro-N-[(1S)-2,2,2-trichloro-1-(pyridin-1-ium-2-ylamino)ethyl]benzamide is a drug-like molecule.

MolName	2-chloro-N-[(1S)-2,2,2-trichloro-1-(pyridin-1-ium-2-ylamino)ethyl]benzamide
MolecularFormula	C14H12N3OCl4
Smiles	O=C(c(cccc1)c1Cl)N[C@@H](C(Cl)(Cl)Cl)Nc1[nH+]cccc1
InChI	InChI=1S/C14H11Cl4N3O/c15-10-6-2-1-5-9(10)12(22)21-13(14(16,17)18)20-11-7-3-4-8-19-11/h1-8,13H,(H,19,20)(H,21,22)/p+1/t13-/m0/s1
InChIK	QFWLABVFXFTMLZ-ZDUSSCGKSA-O
TotalMolweight	380.081
Molweight	380.081
MonoisotopicMass	377.973445
CLogP	1.8826
CLogS	-4.901
H Acceptors	4
H Donors	3
TotalSurfaceArea	246.07
Relative PSA	0.14614
PolarSurfaceArea	55.27
Druglikeness	1.0326
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
StereoCenters	1
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
BasicNitrogens	1
StereoCon	this enantiomer

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