Chemical ID: 5013589

c1cc2c(cc1Cl)NC(=O)C2=O
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

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Descriptor Annotations

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