(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile

Formula:C19H10N2O3ClF Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[5-(4-chloro-2-nitrophenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
MolecularFormula	C19H10N2O3ClF
Smiles	N#C/C(/c(cc1)ccc1F)=C/c1ccc(-c(ccc(Cl)c2)c2[N+]([O-])=O)o1
InChI	InChI=1S/C19H10ClFN2O3/c20-14-3-7-17(18(10-14)23(24)25)19-8-6-16(26-19)9-13(11-22)12-1-4-15(21)5-2-12/h1-10H
InChIK	IFRLBXGCWDHKIT-UHFFFAOYSA-N
TotalMolweight	368.75
Molweight	368.75
MonoisotopicMass	368.036398
CLogP	4.0567
CLogS	-6.599
H Acceptors	5
TotalSurfaceArea	274.33
Relative PSA	0.21175
PolarSurfaceArea	82.75
Druglikeness	-9.9042
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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