(E)-1-[5-(2,4-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-(2,4-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-(2,4-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(-c(ccc(Cl)c2)c2Cl)o1
InChI	InChI=1S/C34H22Cl2N2O2/c35-26-14-17-28(29(36)21-26)33-19-20-34(40-33)32(39)18-13-23-11-15-27(16-12-23)38-31(25-9-5-2-6-10-25)22-30(37-38)24-7-3-1-4-8-24/h1-22H
InChIK	BOHAFCSQWJNNJV-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	0.55
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-(2,4-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one | 2 - (E)-1-[5-(2,4-dichlorophenyl)furan-2-yl]-3-[4-(3,5-diphenylpyrazol-1-yl)phenyl]prop-2-en-1-one

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