N-[(E)-3-(azepan-1-yl)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide

Formula:C22H23N2O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-3-(azepan-1-yl)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.

MolName	N-[(E)-3-(azepan-1-yl)-1-(4-fluorophenyl)-3-oxoprop-1-en-2-yl]benzamide
MolecularFormula	C22H23N2O2F
Smiles	O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)ccc1F)N1CCCCCC1
InChI	InChI=1S/C22H23FN2O2/c23-19-12-10-17(11-13-19)16-20(22(27)25-14-6-1-2-7-15-25)24-21(26)18-8-4-3-5-9-18/h3-5,8-13,16H,1-2,6-7,14-15H2,(H,24,26)
InChIK	PYFDSOUMBRLRKP-UHFFFAOYSA-N
TotalMolweight	366.435
Molweight	366.435
MonoisotopicMass	366.174356
CLogP	4.5574
CLogS	-4.544
H Acceptors	4
H Donors	1
TotalSurfaceArea	290.4
Relative PSA	0.14149
PolarSurfaceArea	49.41
Druglikeness	-0.17612
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48148
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	7
Amides	2
StereoCon

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