Chemical ID: 6437872

c1cc(ccc1C(=O)CCCCCCCC(=O)c2ccc(cc2)Cl)Cl
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

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Descriptor Annotations

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