(E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-phenylprop-2-en-1-one

Formula:C24H25NO Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[2-(azepan-1-yl)-3H-inden-1-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C24H25NO
Smiles	O=C(/C=C/C(c1c(C2)cccc1)=C2N1CCCCCC1)c1ccccc1
InChI	InChI=1S/C24H25NO/c26-24(19-10-4-3-5-11-19)15-14-22-21-13-7-6-12-20(21)18-23(22)25-16-8-1-2-9-17-25/h3-7,10-15H,1-2,8-9,16-18H2
InChIK	PIJDQZXVKRTRSX-UHFFFAOYSA-N
TotalMolweight	343.469
Molweight	343.469
MonoisotopicMass	343.193614
CLogP	4.7944
CLogS	-4.717
H Acceptors	2
TotalSurfaceArea	279.81
Relative PSA	0.05929
PolarSurfaceArea	20.31
Druglikeness	-0.43881
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	5
BasicNitrogens	1
StereoCon

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