(2E,6E)-2,6-bis[(E)-3-(2-nitrophenyl)prop-2-enylidene]cyclohexan-1-one

Formula:C24H20N2O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,6E)-2,6-bis[(E)-3-(2-nitrophenyl)prop-2-enylidene]cyclohexan-1-one is a drug-like molecule.

MolName	(2E,6E)-2,6-bis[(E)-3-(2-nitrophenyl)prop-2-enylidene]cyclohexan-1-one
MolecularFormula	C24H20N2O5
Smiles	[O-][N+](c1c(/C=C/C=C(\CCC/C2=C\C=C\c(cccc3)c3[N+]([O-])=O)/C2=O)cccc1)=O
InChI	InChI=1S/C24H20N2O5/c27-24-20(12-5-10-18-8-1-3-16-22(18)25(28)29)14-7-15-21(24)13-6-11-19-9-2-4-17-23(19)26(30)31/h1-6,8-13,16-17H,7,14-15H2
InChIK	VDWXAGLSDQRPGT-UHFFFAOYSA-N
TotalMolweight	416.432
Molweight	416.432
MonoisotopicMass	416.137223
CLogP	4.308
CLogS	-6.134
H Acceptors	7
TotalSurfaceArea	328.31
Relative PSA	0.22503
PolarSurfaceArea	108.71
Druglikeness	-6.9541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	14
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - (2E,6E)-2,6-bis[(E)-3-(2-nitrophenyl)prop-2-enylidene]cyclohexan-1-one | 2 - (2E,6E)-2,6-bis[(E)-3-(2-nitrophenyl)prop-2-enylidene]cyclohexan-1-one

Request More Details | (2E,6E)-2,6-bis[(E)-3-(2-nitrophenyl)prop-2-enylidene]cyclohexan-1-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments