Chemical ID: 7051731

CCCCCCN1c2c(cc(cc2Br)Br)C(=O)C1=O
Chemical ID:
7051731
Name [?]:
5,7-dibromo-1-hexyl-indoline-2,3-dione
SMILES [?]:
CCCCCCN1c2c(cc(cc2Br)Br)C(=O)C1=O
InChi [?]:
InChI=1/C14H15Br2NO2/c1-2-3-4-5-6-17-12-10(13(18)14(17)19)7-9(15)8-11(12)16/h7-8H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,10,12,11,9,13,8,16,18,15,14,7,17,19/rA:19nCCCCCCNCCCCCCBrBrCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;d16;s7s16;d18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15Br2NO2
All Atoms:34
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:10.1151
Area:486.531
Solvation:-2.04814
Coulombic:-28.216
Bond Count [?]
All:20
Single:15
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:389.082
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.81
LogP (Chemaxon):4.47

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