(Z)-3-(3-iodo-4-prop-2-ynoxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile

Formula:C18H11N2O3I Mutagenic:none Tumorigenic:none Reproductive Effective:high (Z)-3-(3-iodo-4-prop-2-ynoxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-(3-iodo-4-prop-2-ynoxyphenyl)-2-(3-nitrophenyl)prop-2-enenitrile
MolecularFormula	C18H11N2O3I
Smiles	C#CCOc(ccc(/C=C(/c1cc([N+]([O-])=O)ccc1)\C#N)c1)c1I
InChI	InChI=1S/C18H11IN2O3/c1-2-8-24-18-7-6-13(10-17(18)19)9-15(12-20)14-4-3-5-16(11-14)21(22)23/h1,3-7,9-11H,8H2
InChIK	UGBJEDOZXLBINQ-UHFFFAOYSA-N
TotalMolweight	430.196
Molweight	430.196
MonoisotopicMass	429.981441
CLogP	2.8053
CLogS	-5.747
H Acceptors	5
TotalSurfaceArea	276.96
Relative PSA	0.1949
PolarSurfaceArea	78.84
Druglikeness	-9.4981
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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