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Chemical ID: 5789515
Chemical ID:
5789515
Name [?]:
6-chloro-3-(2-chlorophenyl)-4,7-dimethyl-chromen-2-one
SMILES [?]:
Cc1cc2c(cc1Cl)c(c(c(=O)o2)c3ccccc3Cl)C
InChi [?]:
InChI=1/C17H12Cl2O2/c1-9-7-15-12(8-14(9)19)10(2)16(17(20)21-15)11-5-3-4-6-13(11)18/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,16,17,15,18,3,6,2,9,14,5,19,7,4,10,11,20,8,12,13/rA:21nCCCCCCCClCCCOOCCCCCCClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s4s11;s10;s14;d15;s16;d17;d14s18;s19;s9;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12Cl2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1318 |
Area: | 483.632 |
Solvation: | -1.95894 |
Coulombic: | -21.9373 |
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: | 5.46 |
LogP (Chemaxon): | 5.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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