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Chemical ID: 5013589
Chemical ID:
5013589
Name [?]:
6-chloroindoline-2,3-dione
SMILES [?]:
c1cc2c(cc1Cl)NC(=O)C2=O
InChi [?]:
InChI=1/C8H4ClNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,11,9,7,8,12,10/rA:12nCCCCCCClNCOCO/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s3s9;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H4ClNO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.94996 |
Area: | 328.591 |
Solvation: | -2.26481 |
Coulombic: | -31.3572 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 181.576 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.21 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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