Chemical ID: 5280813

Cc1cc2c(cc1C)C(=O)C(=CC2=O)c3ccc(cc3)Br
Chemical ID:
5280813
Name [?]:
2-(4-bromophenyl)-6,7-dimethyl-naphthalene-1,4-dione
SMILES [?]:
Cc1cc2c(cc1C)C(=O)C(=CC2=O)c3ccc(cc3)Br
InChi [?]:
InChI=1/C18H13BrO2/c1-10-7-15-16(8-11(10)2)18(21)14(9-17(15)20)12-3-5-13(19)6-4-12/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,20,17,19,3,6,12,2,7,15,18,11,4,5,13,9,21,14,10/E:(3,4)(5,6)/rA:21nCCCCCCCCCOCCCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;d13;s11;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13BrO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.58969
Area:481.193
Solvation:-2.44012
Coulombic:-18.3634
Bond Count [?]
All:23
Single:14
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:341.199
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.97
LogP (Chemaxon):4.94

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Descriptor Annotations

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