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Chemical ID: 3998173
Chemical ID:
3998173
Name [?]:
2-(1-piperidylcarbonyl)benzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2)C(=O)O
InChi [?]:
InChI=1/C13H15NO3/c15-12(14-8-4-1-5-9-14)10-6-2-3-7-11(10)13(16)17/h2-3,6-7H,1,4-5,8-9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:12,1,2,11,13,6,3,10,14,5,4,7,15,9,8,16,17/E:(4,5)(8,9)(16,17)/rA:17nCCCCCCCONCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s4;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.92889 |
Area: | 392.934 |
Solvation: | -2.89447 |
Coulombic: | -44.4821 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.263 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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