Chemical ID: 4232920

COc1ccc(cc1)C(=O)c2ccc(cc2Cl)Cl
Chemical ID:
4232920
Name [?]:
(2,4-dichlorophenyl)-(4-methoxyphenyl)-methanone
SMILES [?]:
COc1ccc(cc1)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O2/c1-18-11-5-2-9(3-6-11)14(17)12-7-4-10(15)8-13(12)16/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,13,4,8,12,15,6,14,3,11,16,9,18,17,10,2/E:(2,3)(5,6)/rA:18nCOCCCCCCCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.36283
Area:454.783
Solvation:-3.00674
Coulombic:-17.9947
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.133
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.74
LogP (Chemaxon):4.05

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Descriptor Annotations

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