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Chemical ID: 7351827
Chemical ID:
7351827
Name [?]:
None
SMILES [?]:
CC12CCCC(=C)C1CC3C(C2)OC(=O)C3CN4CCCC4
InChi [?]:
InChI=1/C19H29NO2/c1-13-6-5-7-19(2)11-17-14(10-16(13)19)15(18(21)22-17)12-20-8-3-4-9-20/h14-17H,1,3-12H2,2H3
InChi Info:
AuxInfo=1/0/N:7,1,20,21,4,5,3,19,22,9,12,17,6,10,16,8,11,14,2,18,15,13/E:(3,4)(8,9)/rA:22cCCCCCCCCCCCCOCOCCNCCCC/rB:s1;s2;s3;s4;s5;d6;s2s6;s8;s9;s10;s2s11;s11;s13;d14;s10s14;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H29NO2 |
All Atoms: | 51 |
Heavy Atoms: | 22 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 9.48045 |
Area: | 478.969 |
Solvation: | -2.49378 |
Coulombic: | -24.7137 |
Bond Count [?]
All: | 25 |
Single: | 23 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 303.439 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.8 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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