Chemical ID: 5028837

COc1ccc(c(c1)O)C(=O)c2ccc(cc2Cl)Cl
Chemical ID:
5028837
Name [?]:
(2,4-dichlorophenyl)-(2-hydroxy-4-methoxy-phenyl)-methanone
SMILES [?]:
COc1ccc(c(c1)O)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2O3/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(15)6-12(10)16/h2-7,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,4,13,5,16,8,15,3,12,6,17,7,10,19,18,9,11,2/rA:19nCOCCCCCCOCOCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;d10;s10;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.16169
Area:462.271
Solvation:-4.39508
Coulombic:-32.0432
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:297.133
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.76
LogP (Chemaxon):4.42

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