Chemical ID: 4568142

Cc1cc(=O)oc2c1cc3c(coc3c2C)c4ccc(cc4)Br
Chemical ID:
4568142
Name [?]:
None
SMILES [?]:
Cc1cc(=O)oc2c1cc3c(coc3c2C)c4ccc(cc4)Br
InChi [?]:
InChI=1/C19H13BrO3/c1-10-7-17(21)23-19-11(2)18-15(8-14(10)19)16(9-22-18)12-3-5-13(20)6-4-12/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,18,22,19,21,3,9,12,2,15,17,20,8,10,11,4,14,7,23,5,13,6/E:(3,4)(5,6)/rA:23nCCCCOOCCCCCCOCCCCCCCCCBr/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;s10;d11;s12;d10s13;d7s14;s15;s11;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13BrO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.64817
Area:504.33
Solvation:-2.96007
Coulombic:-27.09
Bond Count [?]
All:26
Single:17
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:369.209
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.05
LogP (Chemaxon):6.1

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Descriptor Annotations

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