Chemical ID: 5579320

COc1ccc(cc1OC)C(=O)c2ccccc2Cl
Chemical ID:
5579320
Name [?]:
(2-chlorophenyl)-(3,4-dimethoxyphenyl)-methanone
SMILES [?]:
COc1ccc(cc1OC)C(=O)c2ccccc2Cl
InChi [?]:
InChI=1/C15H13ClO3/c1-18-13-8-7-10(9-14(13)19-2)15(17)11-5-3-4-6-12(11)16/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,15,16,14,17,5,4,7,6,13,18,3,8,11,19,12,2,9/rA:19nCOCCCCCCOCCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H13ClO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.155
Area:447.365
Solvation:-5.02913
Coulombic:-24.2249
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:276.715
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.76
LogP (Chemaxon):3.28

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Descriptor Annotations

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