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Chemical ID: 4945084
Chemical ID:
4945084
Name [?]:
(1-hydroxy-2-oxonio-2,2-diphenyl-ethylidene)oxonium
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)(C(=[OH+])O)[OH2+]
InChi [?]:
InChI=1/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16)/p+2
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,3,5,9,13,4,8,14,7,15,16,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(15,16)/rA:17nCCCCCCCCCCCCCCO+OO+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;w14;s14;s7;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14O3+2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -116.657 |
Area: | 389.282 |
Solvation: | -126.389 |
Coulombic: | 20.1182 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.36 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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