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Chemical ID: 5579320
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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