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Chemical ID: 4945071
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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