N-[(1S)-1-anilino-2,2,2-trichloroethyl]-4-(4-pentoxyphenyl)benzamide

Formula:C26H27N2O2Cl3 Mutagenic:high Tumorigenic:low Reproductive Effective:high N-[(1S)-1-anilino-2,2,2-trichloroethyl]-4-(4-pentoxyphenyl)benzamide is not a drug-like molecule.

MolName	N-[(1S)-1-anilino-2,2,2-trichloroethyl]-4-(4-pentoxyphenyl)benzamide
MolecularFormula	C26H27N2O2Cl3
Smiles	CCCCCOc(cc1)ccc1-c(cc1)ccc1C(N[C@@H](C(Cl)(Cl)Cl)Nc1ccccc1)=O
InChI	InChI=1S/C26H27Cl3N2O2/c1-2-3-7-18-33-23-16-14-20(15-17-23)19-10-12-21(13-11-19)24(32)31-25(26(27,28)29)30-22-8-5-4-6-9-22/h4-6,8-17,25,30H,2-3,7,18H2,1H3,(H,31,32)/t25-/m0/s1
InChIK	IKNWJJZVPYMCGB-VWLOTQADSA-N
TotalMolweight	505.871
Molweight	505.871
MonoisotopicMass	504.113809
CLogP	7.2626
CLogS	-7.649
H Acceptors	4
H Donors	2
TotalSurfaceArea	379.92
Relative PSA	0.12097
PolarSurfaceArea	50.36
Druglikeness	-7.1642
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	1
Rotatable Bond	11
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	8
Amides	1
StereoCon	this enantiomer

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