[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(furan-2-yl)methanone

Formula:C25H22N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(furan-2-yl)methanone is not a drug-like molecule.

MolName	[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-(furan-2-yl)methanone
MolecularFormula	C25H22N2O2
Smiles	O=C(c1ccco1)N(C(C1CCC2)c3ccccc3)N=C1/C2=C/c1ccccc1
InChI	InChI=1S/C25H22N2O2/c28-25(22-15-8-16-29-22)27-24(19-11-5-2-6-12-19)21-14-7-13-20(23(21)26-27)17-18-9-3-1-4-10-18/h1-6,8-12,15-17,21,24H,7,13-14H2
InChIK	TYNBZYIPYMNZDL-UHFFFAOYSA-N
TotalMolweight	382.462
Molweight	382.462
MonoisotopicMass	382.168128
CLogP	5.0452
CLogS	-5.254
H Acceptors	4
TotalSurfaceArea	297.48
Relative PSA	0.14189
PolarSurfaceArea	45.81
Druglikeness	0.64395
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.44828
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	4
StereoCon	unknown chirality

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