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Chemical ID: 5779094
Chemical ID:
5779094
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc(=O)c3ccc4ccccc4c3o2
InChi [?]:
InChI=1/C19H12O2/c20-17-12-18(14-7-2-1-3-8-14)21-19-15-9-5-4-6-13(15)10-11-16(17)19/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,15,3,5,18,13,12,8,14,4,19,11,9,7,20,10,21/E:(2,3)(7,8)/rA:21nCCCCCCCCCOCCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s7s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H12O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19511 |
Area: | 451.882 |
Solvation: | -2.10194 |
Coulombic: | -19.7051 |
Bond Count [?]
All: | 24 |
Single: | 14 |
Double: | 10 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 272.297 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.9 |
LogP (Chemaxon): | 4.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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