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

Formula:C25H22N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none [(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-thiophen-2-ylmethanone is not a drug-like molecule.

MolName	[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-thiophen-2-ylmethanone
MolecularFormula	C25H22N2OS
Smiles	O=C(c1cccs1)N(C(C1CCC2)c3ccccc3)N=C1/C2=C/c1ccccc1
InChI	InChI=1S/C25H22N2OS/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	SPXZIRSKCASAAU-UHFFFAOYSA-N
TotalMolweight	398.529
Molweight	398.529
MonoisotopicMass	398.145283
CLogP	5.7231
CLogS	-5.582
H Acceptors	3
TotalSurfaceArea	303.73
Relative PSA	0.15955
PolarSurfaceArea	60.91
Druglikeness	2.4133
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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