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Chemical ID: 4725063
Chemical ID:
4725063
Name [?]:
1-(4-chlorobut-2-enyl)indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CC=CCCl
InChi [?]:
InChI=1/C12H10ClNO2/c13-7-3-4-8-14-10-6-2-1-5-9(10)11(15)12(14)16/h1-6H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,3,15,12,5,4,7,9,16,11,8,10/rA:16nCCCCCCCOCONCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;w13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClNO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.77416 |
Area: | 414.153 |
Solvation: | -2.57967 |
Coulombic: | -29.185 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 235.666 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.89 |
LogP (Chemaxon): | 2.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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