Chemical ID: 5496928

Cc1cc(cc(c1OC(=O)Cc2coc3c2c4ccccc4cc3)Cl)Br
Chemical ID:
5496928
Name [?]:
None
SMILES [?]:
Cc1cc(cc(c1OC(=O)Cc2coc3c2c4ccccc4cc3)Cl)Br
InChi [?]:
InChI=1/C21H14BrClO3/c1-12-8-15(22)10-17(23)21(12)26-19(24)9-14-11-25-18-7-6-13-4-2-3-5-16(13)20(14)18/h2-8,10-11H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,23,24,3,11,5,13,2,22,12,4,17,6,15,9,16,7,26,25,10,14,8/rA:26nCCCCCCCOCOCCCOCCCCCCCCCCClBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;s14;s12s15;d16;s17;d18;s19;d20;s17s21;d22;d15s23;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14BrClO3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4708
Area:547.332
Solvation:-3.21248
Coulombic:-26.953
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:429.691
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.21
LogP (Chemaxon):6.75

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Descriptor Annotations

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