Chemical ID: 5789575

Cc1ccc2c(c1)c(c(c(=O)o2)c3ccc(cc3Cl)Cl)C
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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Descriptor Annotations

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