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Chemical ID: 6377346
Chemical ID:
6377346
Name [?]:
N-[1-(1-adamantyl)ethyl]-2-chloro-pyridine-3-carboxamide
SMILES [?]:
CC(C12CC3CC(C1)CC(C3)C2)NC(=O)c4cccnc4Cl
InChi [?]:
InChI=1/C18H23ClN2O/c1-11(21-17(22)15-3-2-4-20-16(15)19)18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,6,9,11,8,4,12,2,7,5,10,16,21,14,3,22,20,13,15/E:(5,6,7)(8,9,10)(12,13,14)/rA:22cCCCCCCCCCCCCNCOCCCCNCCl/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s5s10;s3s10;s2;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClN2O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0279 |
Area: | 482.957 |
Solvation: | -2.046 |
Coulombic: | -28.586 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 318.841 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.03 |
LogP (Chemaxon): | 3.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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