Chemical ID: 3964433

COC(=O)c1ccc2c(c1)NC(=O)C2
Chemical ID:
3964433
Name [?]:
methyl 2-oxoindoline-6-carboxylate
SMILES [?]:
COC(=O)c1ccc2c(c1)NC(=O)C2
InChi [?]:
InChI=1/C10H9NO3/c1-14-10(13)7-3-2-6-5-9(12)11-8(6)4-7/h2-4H,5H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,6,10,14,8,5,9,12,3,11,13,4,2/rA:14nCOCOCCCCCCNCOC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;s11;d12;s8s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.28795
Area:358.807
Solvation:-2.68222
Coulombic:-38.9568
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:191.183
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.72
LogP (Chemaxon):0.72

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue