2-(3,4-dichlorophenyl)-5-[(E)-2-nitro-3-phenylprop-1-enyl]furan

Formula:C19H13NO3Cl2 Mutagenic:low Tumorigenic:high Reproductive Effective:none 2-(3,4-dichlorophenyl)-5-[(E)-2-nitro-3-phenylprop-1-enyl]furan is not a drug-like molecule.

MolName	2-(3,4-dichlorophenyl)-5-[(E)-2-nitro-3-phenylprop-1-enyl]furan
MolecularFormula	C19H13NO3Cl2
Smiles	[O-][N+](/C(/Cc1ccccc1)=C/c1ccc(-c(cc2)cc(Cl)c2Cl)o1)=O
InChI	InChI=1S/C19H13Cl2NO3/c20-17-8-6-14(11-18(17)21)19-9-7-16(25-19)12-15(22(23)24)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2
InChIK	GSXJCVOKMSSBAT-UHFFFAOYSA-N
TotalMolweight	374.222
Molweight	374.222
MonoisotopicMass	373.027248
CLogP	5.5712
CLogS	-6.949
H Acceptors	4
TotalSurfaceArea	275.45
Relative PSA	0.16166
PolarSurfaceArea	58.96
Druglikeness	-4.6619
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
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	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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