(E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-phenylprop-2-en-1-one

Formula:C19H12NO4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-[5-(2-chloro-5-nitrophenyl)furan-2-yl]-1-phenylprop-2-en-1-one
MolecularFormula	C19H12NO4Cl
Smiles	[O-][N+](c(cc1)cc(-c2ccc(/C=C/C(c3ccccc3)=O)o2)c1Cl)=O
InChI	InChI=1S/C19H12ClNO4/c20-17-9-6-14(21(23)24)12-16(17)19-11-8-15(25-19)7-10-18(22)13-4-2-1-3-5-13/h1-12H
InChIK	CMPGGBADQBEVBY-UHFFFAOYSA-N
TotalMolweight	353.76
Molweight	353.76
MonoisotopicMass	353.045486
CLogP	3.9271
CLogS	-6.496
H Acceptors	5
TotalSurfaceArea	265.81
Relative PSA	0.21658
PolarSurfaceArea	76.03
Druglikeness	-3.2416
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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