Chemical ID: 4122109

c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)O)Cl
Chemical ID:
4122109
Name [?]:
1-(2-chlorobenzoyl)piperidine-4-carboxylic acid
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCC(CC2)C(=O)O)Cl
InChi [?]:
InChI=1/C13H14ClNO3/c14-11-4-2-1-3-10(11)12(16)15-7-5-9(6-8-15)13(17)18/h1-4,9H,5-8H2,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,13,10,14,12,5,4,7,15,18,9,8,16,17/E:(5,6)(7,8)(17,18)/rA:18nCCCCCCCONCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14ClNO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.84143
Area:433.998
Solvation:-3.00851
Coulombic:-43.927
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.708
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.11
LogP (Chemaxon):1.76

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