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Chemical ID: 6482882
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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