Chemical ID: 4567606

CCOc1ccc(cc1OCC)c2c3cc(ccc3n4c2-c5cc(c(cc5CC4)OCC)OCC)OC
Chemical ID:
4567606
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OCC)c2c3cc(ccc3n4c2-c5cc(c(cc5CC4)OCC)OCC)OC
InChi [?]:
InChI=1/C31H35NO5/c1-6-34-26-13-10-21(17-27(26)35-7-2)30-24-18-22(33-5)11-12-25(24)32-15-14-20-16-28(36-8-3)29(37-9-4)19-23(20)31(30)32/h10-13,16-19H,6-9,14-15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,12,32,35,37,2,11,31,34,6,17,18,5,28,29,26,8,15,23,27,7,16,22,14,19,4,9,25,24,13,21,20,36,3,10,30,33/rA:37nCCOCCCCCCOCCCCCCCCCNCCCCCCCCCOCCOCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;s16;d17;d14s18;s19;d13s20;s21;s22;d23;s24;d25;d22s26;s27;s20s28;s25;s30;s31;s24;s33;s34;s16;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H35NO5
All Atoms:37
Heavy Atoms:37
Chiral Atoms:0
ZAP Information [?]
Total:9.10881
Area:726.545
Solvation:-9.05482
Coulombic:-42.5
Bond Count [?]
All:41
Single:31
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:501.613
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.87
LogP (Chemaxon):5.92

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