(E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-naphthalen-1-ylprop-2-en-1-one

Formula:C34H26N2O Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-naphthalen-1-ylprop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-[4-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)phenyl]-1-naphthalen-1-ylprop-2-en-1-one
MolecularFormula	C34H26N2O
Smiles	O=C(/C=C/c(cc1)ccc1N(C(C1)c2ccccc2)N=C1c1ccccc1)c1cccc2ccccc12
InChI	InChI=1S/C34H26N2O/c37-34(31-17-9-15-26-10-7-8-16-30(26)31)23-20-25-18-21-29(22-19-25)36-33(28-13-5-2-6-14-28)24-32(35-36)27-11-3-1-4-12-27/h1-23,33H,24H2/t33-/m0/s1
InChIK	LOUQJDNADCMJKU-XIFFEERXSA-N
TotalMolweight	478.593
Molweight	478.593
MonoisotopicMass	478.204513
CLogP	7.9606
CLogS	-8.379
H Acceptors	3
TotalSurfaceArea	377.42
Relative PSA	0.074453
PolarSurfaceArea	32.67
Druglikeness	3.5396
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.51351
Fragments	1
Non HAtoms	37
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	1
Rotatable Bond	6
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	28
Sp3Atoms	2
Symmetricatoms	6
StereoCon	racemate

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