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Chemical ID: 5642515
Chemical ID:
5642515
Name [?]:
N-(o-tolyl)adamantane-1-carboxamide
SMILES [?]:
Cc1ccccc1NC(=O)C23CC4CC(C2)CC(C4)C3
InChi [?]:
InChI=1/C18H23NO/c1-12-4-2-3-5-16(12)19-17(20)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15H,6-11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,14,17,19,16,12,20,2,15,13,18,7,9,11,8,10/E:(6,7,8)(9,10,11)(13,14,15)/rA:20nCCCCCCCNCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s15;s17;s13s18;s11s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23NO |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34499 |
Area: | 436.125 |
Solvation: | -1.55814 |
Coulombic: | -22.6266 |
Bond Count [?]
All: | 23 |
Single: | 19 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.381 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.46 |
LogP (Chemaxon): | 3.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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