Chemical ID: 3969066

C1CCCC2CCN3CCCC(C3O2)(CCCCCCC4CCN5CCCC(C5O4)CC1)O
Chemical ID:
3969066
Name [?]:
None
SMILES [?]:
C1CCCC2CCN3CCCC(C3O2)(CCCCCCC4CCN5CCCC(C5O4)CC1)O
InChi [?]:
InChI=1/C28H50N2O3/c31-28-17-8-4-3-7-13-24-15-21-29-19-9-12-23(26(29)32-24)11-5-1-2-6-14-25-16-22-30(20-10-18-28)27(28)33-25/h23-27,31H,1-22H2
InChi Info:
AuxInfo=1/0/N:1,2,18,17,32,3,19,16,26,10,31,27,20,4,22,6,15,11,25,9,23,7,28,21,5,29,13,12,24,8,33,30,14/rA:33cCCCCCCCNCCCCCOCCCCCCCCCNCCCCCOCCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s5s13;s12;s15;s16;s17;s18;s19;s20;s21;s22;s23;s24;s25;s26;s27;s24s28;s21s29;s28;s1s31;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H50N2O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:8
ZAP Information [?]
Total:11.8514
Area:639.768
Solvation:-4.14281
Coulombic:-46.1422
Bond Count [?]
All:37
Single:37
Double:0
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:462.708
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.96
LogP (Chemaxon):4.67

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