Chemical ID: 4340609

C#CCN1c2ccc(cc2C(=O)C1=O)Br
Chemical ID:
4340609
Name [?]:
5-bromo-1-prop-2-ynyl-indoline-2,3-dione
SMILES [?]:
C#CCN1c2ccc(cc2C(=O)C1=O)Br
InChi [?]:
InChI=1/C11H6BrNO2/c1-2-5-13-9-4-3-7(12)6-8(9)10(14)11(13)15/h1,3-4,6H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,7,6,3,9,8,10,5,11,13,15,4,12,14/rA:15nCCCNCCCCCCCOCOBr/rB:t1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s4s11;d13;s8;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6BrNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.11455
Area:386.242
Solvation:-2.54151
Coulombic:-29.0296
Bond Count [?]
All:16
Single:10
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:264.075
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):1.95

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Descriptor Annotations

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