(E)-3-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C16H10N2O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[3,5-dibromo-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H10N2O3Br2
Smiles	N#C/C=C/c(cc1Br)cc(Br)c1OCc(cc1)ccc1[N+]([O-])=O
InChI	InChI=1S/C16H10Br2N2O3/c17-14-8-12(2-1-7-19)9-15(18)16(14)23-10-11-3-5-13(6-4-11)20(21)22/h1-6,8-9H,10H2
InChIK	UJAWVFGBNXRJEM-UHFFFAOYSA-N
TotalMolweight	438.074
Molweight	438.074
MonoisotopicMass	435.905815
CLogP	3.8727
CLogS	-6.141
H Acceptors	5
TotalSurfaceArea	265.92
Relative PSA	0.20299
PolarSurfaceArea	78.84
Druglikeness	-12.81
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	5
AcidicOxygens	1
StereoCon

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