(E)-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-phenylprop-2-en-1-one

Formula:C29H26N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-phenylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-3-phenylprop-2-en-1-one
MolecularFormula	C29H26N2O
Smiles	O=C(/C=C/c1ccccc1)N(C(C1CCC2)c3ccccc3)N=C1/C2=C/c1ccccc1
InChI	InChI=1S/C29H26N2O/c32-27(20-19-22-11-4-1-5-12-22)31-29(24-15-8-3-9-16-24)26-18-10-17-25(28(26)30-31)21-23-13-6-2-7-14-23/h1-9,11-16,19-21,26,29H,10,17-18H2
InChIK	LZWIZEPFVZMUHW-UHFFFAOYSA-N
TotalMolweight	418.538
Molweight	418.538
MonoisotopicMass	418.204513
CLogP	6.1857
CLogS	-5.942
H Acceptors	3
TotalSurfaceArea	334.29
Relative PSA	0.084059
PolarSurfaceArea	32.67
Druglikeness	-0.49997
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	2
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	6
StereoCon	unknown chirality

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