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Chemical ID: 5789575
Chemical ID:
5789575
Name [?]:
3-(2,4-dichlorophenyl)-4,6-dimethyl-chromen-2-one
SMILES [?]:
Cc1ccc2c(c1)c(c(c(=O)o2)c3ccc(cc3Cl)Cl)C
InChi [?]:
InChI=1/C17H12Cl2O2/c1-9-3-6-15-13(7-9)10(2)16(17(20)21-15)12-5-4-11(18)8-14(12)19/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,3,15,14,4,7,17,2,8,16,13,6,18,5,9,10,20,19,11,12/rA:21nCCCCCCCCCCOOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;d10;s5s10;s9;s13;d14;s15;d16;d13s17;s18;s16;s8;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1522 |
Area: | 485.911 |
Solvation: | -1.99561 |
Coulombic: | -21.7667 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 319.181 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.67 |
LogP (Chemaxon): | 5.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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