Chemical ID: 6594834

CC1CCCN(C1)c2ccc(cc2[N+](=O)[O-])C(=O)OCC(=O)Nc3cc(ccc3Cl)Cl
Chemical ID:
6594834
Name [?]:
(2,5-dichlorophenyl)carbamoylmethyl 4-(3-methyl-1-piperidyl)-3-nitro-benzoate
SMILES [?]:
CC1CCCN(C1)c2ccc(cc2[N+](=O)[O-])C(=O)OCC(=O)Nc3cc(ccc3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21Cl2N3O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:2
ZAP Information [?]
Total:7.23937
Area:692.607
Solvation:-10.0758
Coulombic:-57.5527
Bond Count [?]
All:33
Single:24
Double:9
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:466.314
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:5.08
LogP (Chemaxon):4.4

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