(Z)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile

Formula:C19H10N3O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-[5-(2-bromo-4-nitrophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C19H10N3O5Br
Smiles	N#C/C(/c1cc([N+]([O-])=O)ccc1)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Br)o1
InChI	InChI=1S/C19H10BrN3O5/c20-18-10-15(23(26)27)4-6-17(18)19-7-5-16(28-19)9-13(11-21)12-2-1-3-14(8-12)22(24)25/h1-10H
InChIK	FYJHEVIGADHFQX-UHFFFAOYSA-N
TotalMolweight	440.208
Molweight	440.208
MonoisotopicMass	438.980383
CLogP	3.1535
CLogS	-6.843
H Acceptors	8
TotalSurfaceArea	294.86
Relative PSA	0.30018
PolarSurfaceArea	128.57
Druglikeness	-10.45
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
AcidicOxygens	2
StereoCon

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