Chemical ID: 3964437

c1ccc2c(c1)CC(=O)N2
Chemical ID:
3964437
Name [?]:
indolin-2-one
SMILES [?]:
c1ccc2c(c1)CC(=O)N2
InChi [?]:
InChI=1/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,8,10,9/rA:10nCCCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7NO
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.30406
Area:279.024
Solvation:-1.67154
Coulombic:-20.3518
Bond Count [?]
All:11
Single:7
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:133.147
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.78
LogP (Chemaxon):1.17

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