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Chemical ID: 5579326
Chemical ID:
5579326
Name [?]:
(2,4-dichlorophenyl)-(3,4-dimethoxyphenyl)-methanone
SMILES [?]:
COc1ccc(cc1OC)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C15H12Cl2O3/c1-19-13-6-3-9(7-14(13)20-2)15(18)11-5-4-10(16)8-12(11)17/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,15,14,4,7,17,6,16,13,18,3,8,11,20,19,12,2,9/rA:20nCOCCCCCCOCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;d14;s15;d16;d13s17;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12Cl2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.8468 |
Area: | 481.436 |
Solvation: | -5.18911 |
Coulombic: | -23.7636 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 311.159 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.38 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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