Chemical ID: 4945071

c1cc(c(cc1N)C(=[OH+])O)O
Chemical ID:
4945071
Name [?]:
[(5-amino-2-hydroxy-phenyl)-hydroxy-methylene]oxonium
SMILES [?]:
c1cc(c(cc1N)C(=[OH+])O)O
InChi [?]:
InChI=1/C7H7NO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,8H2,(H,10,11)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,3,8,7,11,9,10/E:(10,11)/rA:11nCCCCCCNCO+OO/rB:s1;d2;s3;d4;d1s5;s6;s4;w8;s8;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8NO3+
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:-29.7297
Area:298.819
Solvation:-37.2002
Coulombic:-42.4237
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:154.143
H-Bond Donors:5
H-Bond Acceptors:4
XLogP:0.57
LogP (Chemaxon):-1.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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