Chemical ID: 4258056

c1ccc(cc1)N2CCN(CC2)C(=O)CCC(=O)O
Chemical ID:
4258056
Name [?]:
4-oxo-4-(4-phenylpiperazin-1-yl)-butanoic acid
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)C(=O)CCC(=O)O
InChi [?]:
InChI=1/C14H18N2O3/c17-13(6-7-14(18)19)16-10-8-15(9-11-16)12-4-2-1-3-5-12/h1-5H,6-11H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,15,16,8,12,9,11,4,13,17,7,10,14,18,19/E:(2,3)(4,5)(8,9)(10,11)(18,19)/rA:19nCCCCCCNCCNCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;s16;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H18N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.98246
Area:460.086
Solvation:-3.51969
Coulombic:-47.3104
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:262.304
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.03
LogP (Chemaxon):0.84

Name Annotations

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Descriptor Annotations

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