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Chemical ID: 7107261
Chemical ID:
7107261
Name [?]:
N-[(2,6-dichlorophenyl)methyl]adamantan-2-amine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC2C3CC4CC(C3)CC2C4)Cl
InChi [?]:
InChI=1/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)9-20-17-12-5-10-4-11(7-12)8-13(17)6-10/h1-3,10-13,17,20H,4-9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,14,12,19,16,17,8,13,15,11,18,4,3,5,10,20,7,9/E:(2,3)(5,6,7,8)(10,11)(12,13)(15,16)(18,19)/rA:20nCCCCCCClCNCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s14;s11s15;s15;s10s17;s13s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21Cl2N |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7125 |
Area: | 459.928 |
Solvation: | -0.785739 |
Coulombic: | -12.132 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 310.261 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 5.54 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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