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Chemical ID: 4910628
Chemical ID:
4910628
Name [?]:
None
SMILES [?]:
CC12CCCC3(C1CCC45C3CCC(C4)C(=C)C5O)C6N(C2)CCO6
InChi [?]:
InChI=1/C22H33NO2/c1-14-15-4-5-17-21(12-15,18(14)24)9-6-16-20(2)7-3-8-22(16,17)19-23(13-20)10-11-25-19/h15-19,24H,1,3-13H2,2H3
InChi Info:
AuxInfo=1/0/N:17,1,4,13,12,8,3,5,9,23,24,15,22,16,14,7,11,18,20,2,10,6,21,19,25/rA:25cCCCCCCCCCCCCCCCCCCOCNCCCO/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;s6s10;s11;s12;s13;s10s14;s14;d16;s10s16;s18;s6;s20;s2s21;s21;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H33NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 9 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 30 |
Single: | 29 |
Double: | 1 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 343.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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