(E)-3-(1,3-benzodioxol-5-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)prop-2-en-1-one

Formula:C22H19NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-3-(1,3-benzodioxol-5-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(1,3-benzodioxol-5-yl)-1-(1,2,3,4-tetrahydrocarbazol-9-yl)prop-2-en-1-one
MolecularFormula	C22H19NO3
Smiles	O=C(/C=C/c(cc1)cc2c1OCO2)n1c(cccc2)c2c2c1CCCC2
InChI	InChI=1S/C22H19NO3/c24-22(12-10-15-9-11-20-21(13-15)26-14-25-20)23-18-7-3-1-5-16(18)17-6-2-4-8-19(17)23/h1,3,5,7,9-13H,2,4,6,8,14H2
InChIK	IPCMPHHJAIICOX-UHFFFAOYSA-N
TotalMolweight	345.397
Molweight	345.397
MonoisotopicMass	345.136494
CLogP	4.9562
CLogS	-5.591
H Acceptors	4
TotalSurfaceArea	262.87
Relative PSA	0.15182
PolarSurfaceArea	40.46
Druglikeness	-4.073
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	7
Aromatic Nitrogens	1
StereoCon

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