Chemical ID: 4522769

Cc1cc2c(cc1Br)N(C(=O)C2=O)C(=O)C
Chemical ID:
4522769
Name [?]:
1-acetyl-6-bromo-5-methyl-indoline-2,3-dione
SMILES [?]:
Cc1cc2c(cc1Br)N(C(=O)C2=O)C(=O)C
InChi [?]:
InChI=1/C11H8BrNO3/c1-5-3-7-9(4-8(5)12)13(6(2)14)11(16)10(7)15/h3-4H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,3,6,2,14,4,7,5,12,10,8,9,15,13,11/rA:16nCCCCCCCBrNCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s10;d12;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H8BrNO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.28272
Area:384.87
Solvation:-2.33902
Coulombic:-34.3447
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:282.09
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):1.89

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Descriptor Annotations

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