phenacyl (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate

Formula:C28H21NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none phenacyl (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate is not a drug-like molecule.

MolName	phenacyl (3Z)-3-benzylidene-1,2-dihydrocyclopenta[b]quinoline-9-carboxylate
MolecularFormula	C28H21NO3
Smiles	O=C(COC(c1c(CC/C2=C/c3ccccc3)c2nc2ccccc12)=O)c1ccccc1
InChI	InChI=1S/C28H21NO3/c30-25(20-11-5-2-6-12-20)18-32-28(31)26-22-13-7-8-14-24(22)29-27-21(15-16-23(26)27)17-19-9-3-1-4-10-19/h1-14,17H,15-16,18H2
InChIK	QVAXOPQTVULLSQ-UHFFFAOYSA-N
TotalMolweight	419.479
Molweight	419.479
MonoisotopicMass	419.152144
CLogP	5.2141
CLogS	-6.287
H Acceptors	4
TotalSurfaceArea	324.13
Relative PSA	0.14516
PolarSurfaceArea	56.26
Druglikeness	1.0672
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	4
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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