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Chemical ID: 7109701
Chemical ID:
7109701
Name [?]:
N-[(3,4-dichlorophenyl)methyl]-1-(p-tolyl)methanamine
SMILES [?]:
Cc1ccc(cc1)CNCc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C15H15Cl2N/c1-11-2-4-12(5-3-11)9-18-10-13-6-7-14(16)15(17)8-13/h2-8,18H,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,12,13,16,8,10,2,5,11,14,15,18,17,9/E:(2,3)(4,5)/rA:18nCCCCCCCCNCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s14;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15Cl2N |
All Atoms: | 33 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6799 |
Area: | 487.178 |
Solvation: | -1.49952 |
Coulombic: | -12.3266 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 280.192 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.93 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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