Chemical ID: 5579326

COc1ccc(cc1OC)C(=O)c2ccc(cc2Cl)Cl
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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Descriptor Annotations

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