Chemical ID: 7051715

Cc1cccc2c1N(C(=O)C2=O)CCCBr
Chemical ID:
7051715
Name [?]:
1-(3-bromopropyl)-7-methyl-indoline-2,3-dione
SMILES [?]:
Cc1cccc2c1N(C(=O)C2=O)CCCBr
InChi [?]:
InChI=1/C12H12BrNO2/c1-8-4-2-5-9-10(8)14(7-3-6-13)12(16)11(9)15/h2,4-5H,3,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,14,3,5,15,13,2,6,7,11,9,16,8,12,10/rA:16nCCCCCCCNCOCOCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s6s9;d11;s8;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12BrNO2
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.80477
Area:405.096
Solvation:-2.32262
Coulombic:-27.8812
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:282.133
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.41
LogP (Chemaxon):2.17

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Descriptor Annotations

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