N-[(E)-1-(4-chlorophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide

Formula:C21H21N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-1-(4-chlorophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-1-(4-chlorophenyl)-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-en-2-yl]benzamide
MolecularFormula	C21H21N2O3Cl
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1Cl)NCC1OCCC1
InChI	InChI=1S/C21H21ClN2O3/c22-17-10-8-15(9-11-17)13-19(21(26)23-14-18-7-4-12-27-18)24-20(25)16-5-2-1-3-6-16/h1-3,5-6,8-11,13,18H,4,7,12,14H2,(H,23,26)(H,24,25)/t18-/m1/s1
InChIK	QOJGYVPCYWYDGQ-GOSISDBHSA-N
TotalMolweight	384.862
Molweight	384.862
MonoisotopicMass	384.12407
CLogP	3.6209
CLogS	-4.787
H Acceptors	5
H Donors	2
TotalSurfaceArea	295.61
Relative PSA	0.19959
PolarSurfaceArea	67.43
Druglikeness	2.2961
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	2
StereoCon	racemate

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