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Chemical ID: 4340609
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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