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Chemical ID: 7107983
Chemical ID:
7107983
Name [?]:
N-[(3-chlorophenyl)methyl]-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CNCc2cccc(c2)Cl
InChi [?]:
InChI=1/C14H14ClN/c15-14-8-4-7-13(9-14)11-16-10-12-5-2-1-3-6-12/h1-9,16H,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,3,5,11,13,15,7,9,4,10,14,16,8/E:(2,3)(5,6)/rA:16nCCCCCCCNCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14ClN |
All Atoms: | 30 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.52683 |
Area: | 437.854 |
Solvation: | -1.41951 |
Coulombic: | -12.468 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 231.72 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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