Chemical ID: 3990028

CC1CCCN(C1)c2ccc(cc2[N+](=O)[O-])C(=O)O
Chemical ID:
3990028
Name [?]:
4-(3-methyl-1-piperidyl)-3-nitro-benzoic acid
SMILES [?]:
CC1CCCN(C1)c2ccc(cc2[N+](=O)[O-])C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H16N2O4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:2.3182
Area:437.882
Solvation:-8.62886
Coulombic:-43.6281
Bond Count [?]
All:20
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:264.277
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.78
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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