Chemical ID: 4171786

c1cc(c(cc1[N+](=O)[O-])CN2CCCCCC2)Cl
Chemical ID:
4171786
Name [?]:
1-[(2-chloro-5-nitro-phenyl)methyl]azepane
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])CN2CCCCCC2)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H17ClN2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:4.35814
Area:438.927
Solvation:-6.61503
Coulombic:-17.512
Bond Count [?]
All:19
Single:15
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:268.739
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):3.52

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