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Chemical ID: 5028837
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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