Chemical ID: 4566299

COc1ccc2c(c1OC)nc3c(c2OC)cco3
Chemical ID:
4566299
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1OC)nc3c(c2OC)cco3
InChi [?]:
InChI=1/C14H13NO4/c1-16-10-5-4-8-11(13(10)18-3)15-14-9(6-7-19-14)12(8)17-2/h4-7H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,16,10,5,4,17,18,6,13,3,7,14,8,12,11,2,15,9,19/rA:19nCOCCCCCCOCNCCCOCCCO/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s9;d7;s11;d12;d6s13;s14;s15;s13;d17;s12s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13NO4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:4.69437
Area:420.118
Solvation:-5.80859
Coulombic:-35.0411
Bond Count [?]
All:21
Single:15
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:259.257
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.37
LogP (Chemaxon):2.39

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