Chemical ID: 6532854

c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)CBr
Chemical ID:
6532854
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(c(=O)o3)C(=O)CBr
InChi [?]:
InChI=1/C15H9BrO3/c16-8-13(17)12-7-11-10-4-2-1-3-9(10)5-6-14(11)19-15(12)18/h1-7H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,11,18,5,4,10,12,16,9,13,19,17,14,15/rA:19nCCCCCCCCCCCCCOOCOCBr/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s12;d16;s16;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H9BrO3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:6.18485
Area:433.22
Solvation:-4.64565
Coulombic:-25.2513
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:317.134
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.37
LogP (Chemaxon):3.08

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Descriptor Annotations

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