Chemical ID: 5681949

c1ccc2c(c1)C(C(=O)N2)CC[NH3+]
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue