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

Formula:C29H27N3O3 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethoxy]benzamide is a drug-like molecule.

MolName	N-[2-[(7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-oxoethoxy]benzamide
MolecularFormula	C29H27N3O3
Smiles	O=C(CONC(c1ccccc1)=O)N(C(C1CCC2)c3ccccc3)N=C1/C2=C/c1ccccc1
InChI	InChI=1S/C29H27N3O3/c33-26(20-35-31-29(34)23-15-8-3-9-16-23)32-28(22-13-6-2-7-14-22)25-18-10-17-24(27(25)30-32)19-21-11-4-1-5-12-21/h1-9,11-16,19,25,28H,10,17-18,20H2,(H,31,34)
InChIK	HBCNRPSACIRPHR-UHFFFAOYSA-N
TotalMolweight	465.551
Molweight	465.551
MonoisotopicMass	465.205242
CLogP	4.6754
CLogS	-5.626
H Acceptors	6
H Donors	1
TotalSurfaceArea	360.76
Relative PSA	0.17352
PolarSurfaceArea	71
Druglikeness	0.84138
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.51429
Fragments	1
Non HAtoms	35
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	2
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	7
Symmetricatoms	6
StereoCon	unknown chirality

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