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Chemical ID: 5873205
Chemical ID:
5873205
Name [?]:
N-[(4-chlorophenyl)methyl]adamantan-1-amine
SMILES [?]:
c1cc(ccc1CNC23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C17H22ClN/c18-16-3-1-12(2-4-16)11-19-17-8-13-5-14(9-17)7-15(6-13)10-17/h1-4,13-15,19H,5-11H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,15,17,14,10,18,7,6,13,11,16,3,9,19,8/E:(1,2)(3,4)(5,6,7)(8,9,10)(13,14,15)/rA:19nCCCCCCCNCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s12;s9s13;s13;s15;s11s16;s9s16;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22ClN |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.316 |
Area: | 450.197 |
Solvation: | -0.938935 |
Coulombic: | -11.8123 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.816 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.03 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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