Chemical ID: 6703585

c1ccc2c(c1)c(c[nH]2)CC(C(=O)[O-])[NH3+]
Chemical ID:
6703585
Name [?]:
2-azaniumyl-3-(1H-indol-3-yl)propanoate
SMILES [?]:
c1ccc2c(c1)c(c[nH]2)CC(C(=O)[O-])[NH3+]
InChi [?]:
InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,8,7,5,11,4,12,15,9,13,14/E:(14,15)/rA:15cCCCCCCCCNCCCOO-N+/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s7;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:-26.1497
Area:371.147
Solvation:-35.4284
Coulombic:-17.2119
Bond Count [?]
All:16
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.225
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.38
LogP (Chemaxon):-0.74

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