Chemical ID: 6482882

c1ccc2c(c1)CC(=O)N2C3CCN(CC3)C(=O)C=CC(=O)O
Chemical ID:
6482882
Name [?]:
4-oxo-4-[4-(2-oxoindolin-1-yl)-1-piperidyl]-but-2-enoic acid
SMILES [?]:
c1ccc2c(c1)CC(=O)N2C3CCN(CC3)C(=O)C=CC(=O)O
InChi [?]:
InChI=1/C17H18N2O4/c20-15(5-6-17(22)23)18-9-7-13(8-10-18)19-14-4-2-1-3-12(14)11-16(19)21/h1-6,13H,7-11H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,19,20,12,16,13,15,7,5,11,4,17,8,21,14,10,18,9,22,23/E:(7,8)(9,10)(22,23)/rA:23nCCCCCCCCONCCCNCCCOCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s10;s11;s12;s13;s14;s11s15;s14;d17;s17;w19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:7.45544
Area:500.632
Solvation:-5.06036
Coulombic:-56.5914
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:314.336
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.77
LogP (Chemaxon):0.43

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