Chemical ID: 7090685

c1ccc(c(c1)C(=O)O)N2CCNCC2
Chemical ID:
7090685
Name [?]:
2-piperazin-1-ylbenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)N2CCNCC2
InChi [?]:
InChI=1/C11H14N2O2/c14-11(15)9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,14,11,15,5,4,7,13,10,8,9/E:(5,6)(7,8)(14,15)/rA:15nCCCCCCCOONCCNCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N2O2
All Atoms:29
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.67821
Area:364.748
Solvation:-2.44048
Coulombic:-42.5088
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.241
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.25
LogP (Chemaxon):-1.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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