Chemical ID: 6418856

Cc1ccc(c(c1)OCCn2c(c(c3c2c4ccccc4c(c3)O)C(=O)OC)C)C(C)C
Chemical ID:
6418856
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)OCCn2c(c(c3c2c4ccccc4c(c3)O)C(=O)OC)C)C(C)C
InChi [?]:
InChI=1/C27H29NO4/c1-16(2)19-11-10-17(3)14-24(19)32-13-12-28-18(4)25(27(30)31-5)22-15-23(29)20-8-6-7-9-21(20)26(22)28/h6-11,14-16,29H,12-13H2,1-5H3
InChi Info:
AuxInfo=1/0/N:31,32,1,29,28,19,18,20,17,3,4,10,9,7,23,30,2,12,5,21,16,14,22,6,13,15,25,11,24,26,27,8/E:(1,2)/rA:32nCCCCCCCOCCNCCCCCCCCCCCCOCOOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;d12;s13;s11s14;d15;s16;d17;s18;d19;s16s20;d21;d14s22;s22;s13;d25;s25;s27;s12;s5;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29NO4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:13.1487
Area:679.653
Solvation:-3.84261
Coulombic:-52.1473
Bond Count [?]
All:35
Single:25
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:431.523
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.79
LogP (Chemaxon):6.25

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