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Chemical ID: 6437872
Chemical ID:
6437872
Name [?]:
1,9-bis(4-chlorophenyl)nonane-1,9-dione
SMILES [?]:
c1cc(ccc1C(=O)CCCCCCCC(=O)c2ccc(cc2)Cl)Cl
InChi [?]:
InChI=1/C21H22Cl2O2/c22-18-12-8-16(9-13-18)20(24)6-4-2-1-3-5-7-21(25)17-10-14-19(23)15-11-17/h8-15H,1-7H2
InChi Info:
AuxInfo=1/0/N:12,11,13,10,14,9,15,1,5,19,23,2,4,20,22,6,18,3,21,7,16,25,24,8,17/E:(2,3)(4,5)(6,7)(8,9,10,11)(12,13,14,15)(16,17)(18,19)(20,21)(22,23)(24,25)/rA:25nCCCCCCCOCCCCCCCCOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;d16;s16;s18;d19;s20;d21;d18s22;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H22Cl2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1577 |
Area: | 655.597 |
Solvation: | -3.23226 |
Coulombic: | -19.4109 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 377.304 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.84 |
LogP (Chemaxon): | 5.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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