Chemical ID: 4263340

c1ccc2c(c1)C(=O)C(=O)N2CN3CCOCC3
Chemical ID:
4263340
Name [?]:
1-(morpholinomethyl)indoline-2,3-dione
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CN3CCOCC3
InChi [?]:
InChI=1/C13H14N2O3/c16-12-10-3-1-2-4-11(10)15(13(12)17)9-14-5-7-18-8-6-14/h1-4H,5-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,14,18,15,17,12,5,4,7,9,13,11,8,10,16/E:(5,6)(7,8)/rA:18nCCCCCCCOCONCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H14N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:6.17665
Area:412.264
Solvation:-4.12995
Coulombic:-39.7887
Bond Count [?]
All:20
Single:15
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:246.262
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.32
LogP (Chemaxon):0.89

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