Chemical ID: 4560702

CN1CCc2cc3c(c(c2C1CC(=O)c4ccco4)OC)OCO3
Chemical ID:
4560702
Name [?]:
None
SMILES [?]:
CN1CCc2cc3c(c(c2C1CC(=O)c4ccco4)OC)OCO3
InChi [?]:
InChI=1/C18H19NO5/c1-19-6-5-11-8-15-17(24-10-23-15)18(21-2)16(11)12(19)9-13(20)14-4-3-7-22-14/h3-4,7-8,12H,5-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,17,16,4,3,18,6,12,23,5,11,13,15,7,10,8,9,2,14,20,19,24,22/rA:24cCNCCCCCCCCCCCOCCCCOOCOCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;d13;s13;d15;s16;d17;s15s18;s9;s20;s8;s22;s7s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO5
All Atoms:24
Heavy Atoms:24
Chiral Atoms:2
ZAP Information [?]
Total:6.91398
Area:491.893
Solvation:-5.38334
Coulombic:-44.0746
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.347
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.58
LogP (Chemaxon):1.61

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