Chemical ID: 5736910

CC1CCN(CC1)c2ccc(cc2[N+](=O)[O-])C(=O)OC(C)C(=O)NC3CCCC3
Chemical ID:
5736910
Name [?]:
1-(cyclopentylcarbamoyl)ethyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate
SMILES [?]:
CC1CCN(CC1)c2ccc(cc2[N+](=O)[O-])C(=O)OC(C)C(=O)NC3CCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H29N3O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:6.26303
Area:642.208
Solvation:-9.79216
Coulombic:-57.9179
Bond Count [?]
All:31
Single:25
Double:6
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:403.472
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.26
LogP (Chemaxon):3.51

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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