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Chemical ID: 4269877
Chemical ID:
4269877
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2C3Cc4ccccc4OC3c5ccccc5O2
InChi [?]:
InChI=1/C22H18O2/c1-2-8-15(9-3-1)21-18-14-16-10-4-6-12-19(16)23-22(18)17-11-5-7-13-20(17)24-21/h1-13,18,21-22H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,20,13,21,3,5,11,19,14,22,9,4,10,18,8,15,23,7,17,16,24/E:(2,3)(8,9)/rA:24cCCCCCCCCCCCCCCCOCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s8s16;s17;s18;d19;s20;d21;d18s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18O2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.90653 |
Area: | 462.123 |
Solvation: | -3.64655 |
Coulombic: | -19.0276 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 314.377 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.35 |
LogP (Chemaxon): | 5.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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