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Chemical ID: 4190997
Chemical ID:
4190997
Name [?]:
None
SMILES [?]:
CC1CC2(CCCCC2)N(c3c1cccc3)C(=O)C
InChi [?]:
InChI=1/C17H23NO/c1-13-12-17(10-6-3-7-11-17)18(14(2)19)16-9-5-4-8-15(13)16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,7,14,15,6,8,13,16,5,9,3,2,17,12,11,4,10,18/E:(6,7)(10,11)/rA:19cCCCCCCCCCNCCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s4;s10;s2s11;d12;s13;d14;d11s15;s10;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H23NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.27688 |
Area: | 404.433 |
Solvation: | -1.83395 |
Coulombic: | -16.7137 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 257.371 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 3.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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