Chemical ID: 6351372

c1ccc(cc1)CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O
Chemical ID:
6351372
Name [?]:
6-(4-benzylpiperazin-1-yl)carbonylcyclohex-3-ene-1-carboxylic acid
SMILES [?]:
c1ccc(cc1)CN2CCN(CC2)C(=O)C3CC=CCC3C(=O)O
InChi [?]:
InChI=1/C19H24N2O3/c22-18(16-8-4-5-9-17(16)19(23)24)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-7,16-17H,8-14H2,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,9,13,10,12,7,4,16,21,14,22,8,11,15,23,24/E:(2,3)(6,7)(10,11)(12,13)(23,24)/rA:24cCCCCCCCNCCNCCCOCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;d14;s14;s16;s17;d18;s19;s16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:9.2356
Area:516.934
Solvation:-3.68774
Coulombic:-47.9071
Bond Count [?]
All:26
Single:20
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:328.406
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.44
LogP (Chemaxon):-0.59

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