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Chemical ID: 3969066
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
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Experimental Annotations
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Descriptor Annotations
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