(Z)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile

Formula:C26H18N2O3 Mutagenic:low Tumorigenic:high Reproductive Effective:high (Z)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(Z)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
MolecularFormula	C26H18N2O3
Smiles	N#C/C(/c(cc1)ccc1[N+]([O-])=O)=C\c(cccc1)c1OCc1cccc2ccccc12
InChI	InChI=1S/C26H18N2O3/c27-17-23(19-12-14-24(15-13-19)28(29)30)16-21-7-2-4-11-26(21)31-18-22-9-5-8-20-6-1-3-10-25(20)22/h1-16H,18H2
InChIK	XAYOADYBNNIOJJ-UHFFFAOYSA-N
TotalMolweight	406.44
Molweight	406.44
MonoisotopicMass	406.131743
CLogP	4.9535
CLogS	-7.036
H Acceptors	5
TotalSurfaceArea	321.23
Relative PSA	0.16804
PolarSurfaceArea	78.84
Druglikeness	-10.331
Mutagenic	low
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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