Chemical ID: 5398689

CC1CC(CN(C1)c2ccc(cc2[N+](=O)[O-])C(=O)OCC(=O)N3CCCCC3)C
Chemical ID:
5398689
Name [?]:
1-piperidylcarbonylmethyl 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate
SMILES [?]:
CC1CC(CN(C1)c2ccc(cc2[N+](=O)[O-])C(=O)OCC(=O)N3CCCCC3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:5.91095
Area:635.224
Solvation:-9.96964
Coulombic:-52.7909
Bond Count [?]
All:31
Single:25
Double:6
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:403.472
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:3.57
LogP (Chemaxon):3.23

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