Chemical ID: 4926629

c1cc(ccc1CC(C(=O)[OH2+])N)O
Chemical ID:
4926629
Name [?]:
[2-amino-3-(4-hydroxyphenyl)-propanoyl]oxonium
SMILES [?]:
c1cc(ccc1CC(C(=O)[OH2+])N)O
InChi [?]:
InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/p+1
InChi Info:
AuxInfo=1/1/N:1,5,2,4,7,6,3,8,9,12,13,10,11/E:(1,2)(3,4)(12,13)/rA:13cCCCCCCCCCOO+NO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12NO3+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-35.7672
Area:352.562
Solvation:-44.5813
Coulombic:-62.3416
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:182.197
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-1.78
LogP (Chemaxon):-1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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