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Chemical ID: 7107260
Chemical ID:
7107260
Name [?]:
N-[(2,6-dichlorophenyl)methyl]adamantan-1-amine
SMILES [?]:
c1cc(c(c(c1)Cl)CNC23CC4CC(C2)CC(C4)C3)Cl
InChi [?]:
InChI=1/C17H21Cl2N/c18-15-2-1-3-16(19)14(15)10-20-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,11-13,20H,4-10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,16,18,15,11,19,8,14,12,17,4,3,5,10,20,7,9/E:(2,3)(4,5,6)(7,8,9)(11,12,13)(15,16)(18,19)/rA:20nCCCCCCClCNCCCCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;s11;s12;s13;s10s14;s14;s16;s12s17;s10s17;s3;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21Cl2N |
All Atoms: | 41 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.553 |
Area: | 456.431 |
Solvation: | -0.857767 |
Coulombic: | -12.0699 |
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: | 5.66 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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