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Chemical ID: 3934470
Chemical ID:
3934470
Name [?]:
N-[(2-chloro-6,8-dimethyl-3-quinolyl)methyl]cyclohexanamine
SMILES [?]:
Cc1cc(c2c(c1)cc(c(n2)Cl)CNC3CCCCC3)C
InChi [?]:
InChI=1/C18H23ClN2/c1-12-8-13(2)17-14(9-12)10-15(18(19)21-17)11-20-16-6-4-3-5-7-16/h8-10,16,20H,3-7,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,18,17,19,16,20,3,7,8,13,2,4,6,9,15,5,10,12,14,11/E:(4,5)(6,7)/rA:21nCCCCCCCCCCNClCNCCCCCCC/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;d9;d5s10;s10;s9;s13;s14;s15;s16;s17;s18;s15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23ClN2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2296 |
Area: | 505.01 |
Solvation: | -1.39564 |
Coulombic: | -17.0714 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 302.841 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.84 |
LogP (Chemaxon): | 5.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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