Chemical ID: 3964424

c1cc2c(cc1C#N)CC(=O)N2
Chemical ID:
3964424
Name [?]:
2-oxoindoline-5-carbonitrile
SMILES [?]:
c1cc2c(cc1C#N)CC(=O)N2
InChi [?]:
InChI=1/C9H6N2O/c10-5-6-1-2-8-7(3-6)4-9(12)11-8/h1-3H,4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,9,7,6,4,3,10,8,12,11/rA:12nCCCCCCCNCCON/rB:s1;d2;s3;d4;d1s5;s6;t7;s4;s9;d10;s3s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H6N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:5.79487
Area:322.691
Solvation:-2.27242
Coulombic:-22.6346
Bond Count [?]
All:13
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:158.157
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.51
LogP (Chemaxon):0.99

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Descriptor Annotations

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