Chemical ID: 3964425

c1cc2c(cc1C#N)NC(=O)C2
Chemical ID:
3964425
Name [?]:
2-oxoindoline-6-carbonitrile
SMILES [?]:
c1cc2c(cc1C#N)NC(=O)C2
InChi [?]:
InChI=1/C9H6N2O/c10-5-6-1-2-7-4-9(12)11-8(7)3-6/h1-3H,4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,12,7,6,3,4,10,8,9,11/rA:12nCCCCCCCNNCOC/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:5.83305
Area:322.667
Solvation:-2.23362
Coulombic:-22.6451
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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