Chemical ID: 4253214

Cc1ccc(cc1NC(=O)NCCN2CCN(CC2)c3ccc(cc3)[N+](=O)[O-])Cl
Chemical ID:
4253214
Name [?]:
1-(5-chloro-2-methyl-phenyl)-3-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethyl]urea
SMILES [?]:
Cc1ccc(cc1NC(=O)NCCN2CCN(CC2)c3ccc(cc3)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H24ClN5O3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.04624
Area:658.841
Solvation:-8.42478
Coulombic:-57.9817
Bond Count [?]
All:31
Single:23
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:417.889
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.2
LogP (Chemaxon):3.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue