Chemical ID: 4120105

c1cc2c(c(c1)F)NC(=O)C2=O
Chemical ID:
4120105
Name [?]:
7-fluoroindoline-2,3-dione
SMILES [?]:
c1cc2c(c(c1)F)NC(=O)C2=O
InChi [?]:
InChI=1/C8H4FNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3H,(H,10,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,11,9,7,8,12,10/rA:12nCCCCCCFNCOCO/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;d9;s3s9;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4FNO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.47932
Area:299.5
Solvation:-3.00817
Coulombic:-34.562
Bond Count [?]
All:13
Single:8
Double:5
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:165.121
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.75
LogP (Chemaxon):1.25

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Descriptor Annotations

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