Chemical ID: 6850703

Cc1cc(c2c(c1)c(=O)cc(o2)c3ccc(cc3Cl)Cl)C
Chemical ID:
6850703
Name [?]:
2-(2,4-dichlorophenyl)-6,8-dimethyl-chromen-4-one
SMILES [?]:
Cc1cc(c2c(c1)c(=O)cc(o2)c3ccc(cc3Cl)Cl)C
InChi [?]:
InChI=1/C17H12Cl2O2/c1-9-5-10(2)17-13(6-9)15(20)8-16(21-17)12-4-3-11(18)7-14(12)19/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,15,14,3,7,17,10,2,4,16,13,6,18,8,11,5,20,19,9,12/rA:21nCCCCCCCCOCCOCCCCCCClClC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;s13;d14;s15;d16;d13s17;s18;s16;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12Cl2O2
All Atoms:33
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.1224
Area:489.66
Solvation:-2.11915
Coulombic:-18.0726
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:5.54
LogP (Chemaxon):5.59

Name Annotations

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Descriptor Annotations

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