1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea

Formula:C16H20N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea is a drug-like molecule.

MolName	1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea
MolecularFormula	C16H20N4O3
Smiles	[O-][N+](c1c(/C=C/C=N\NC(NC2CCCCC2)=O)cccc1)=O
InChI	InChI=1S/C16H20N4O3/c21-16(18-14-9-2-1-3-10-14)19-17-12-6-8-13-7-4-5-11-15(13)20(22)23/h4-8,11-12,14H,1-3,9-10H2,(H2,18,19,21)
InChIK	SMTBUTKHBXSMTN-UHFFFAOYSA-N
TotalMolweight	316.36
Molweight	316.36
MonoisotopicMass	316.153541
CLogP	2.1392
CLogS	-5.056
H Acceptors	7
H Donors	2
TotalSurfaceArea	256.66
Relative PSA	0.30348
PolarSurfaceArea	99.31
Druglikeness	-4.9863
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea | 2 - 1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea

Request More Details | 1-cyclohexyl-3-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]urea

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments