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Chemical ID: 3964425
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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