(E)-1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one

Formula:C34H22N2O2Cl2 Mutagenic:high Tumorigenic:low Reproductive Effective:none (E)-1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one
MolecularFormula	C34H22N2O2Cl2
Smiles	O=C(/C=C/c(cc1)ccc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C34H22Cl2N2O2/c35-28-13-7-12-27(34(28)36)32-20-21-33(40-32)31(39)19-16-23-14-17-26(18-15-23)38-30(25-10-5-2-6-11-25)22-29(37-38)24-8-3-1-4-9-24/h1-22H
InChIK	FUKSLHYHTRLBEG-UHFFFAOYSA-N
TotalMolweight	561.467
Molweight	561.467
MonoisotopicMass	560.105832
CLogP	8.1239
CLogS	-10.063
H Acceptors	4
TotalSurfaceArea	424.8
Relative PSA	0.10591
PolarSurfaceArea	48.03
Druglikeness	4.8448
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.525
Fragments	1
Non HAtoms	40
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	6
Small Rings	6
Aromatic Rings	6
Aromatic Atoms	34
Symmetricatoms	6
Aromatic Nitrogens	2
StereoCon

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1 - (E)-1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one | 2 - (E)-1-[5-(2,3-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one

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