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Chemical ID: 5253007
Chemical ID:
5253007
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c4c5ccccc5ccc4o3
InChi [?]:
InChI=1/C20H12O/c1-3-7-15-13(5-1)9-11-17-19(15)20-16-8-4-2-6-14(16)10-12-18(20)21-17/h1-12H
InChi Info:
AuxInfo=1/0/N:1,15,2,14,6,16,3,13,7,18,8,19,5,17,4,12,9,20,10,11,21/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/rA:21nCCCCCCCCCCCCCCCCCCCCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;d11s19;s9s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.97908 |
Area: | 424.809 |
Solvation: | -1.64114 |
Coulombic: | -11.7533 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 268.309 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.95 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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