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Chemical ID: 5681949
Chemical ID:
5681949
Name [?]:
2-(2-oxoindolin-3-yl)ethylammonium
SMILES [?]:
c1ccc2c(c1)C(C(=O)N2)CC[NH3+]
InChi [?]:
InChI=1/C10H12N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,12,5,7,4,8,13,10,9/rA:13cCCCCCCCCONCCN+/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s7;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N2O+ |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -32.2335 |
Area: | 342.356 |
Solvation: | -40.7924 |
Coulombic: | 22.0719 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.223 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.16 |
LogP (Chemaxon): | 0.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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