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Chemical ID: 7105213
Chemical ID:
7105213
Name [?]:
N-[(4-fluorophenyl)methyl]-1-(4-methylsulfanylphenyl)-methanamine
SMILES [?]:
CSc1ccc(cc1)CNCc2ccc(cc2)F
InChi [?]:
InChI=1/C15H16FNS/c1-18-15-8-4-13(5-9-15)11-17-10-12-2-6-14(16)7-3-12/h2-9,17H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,17,5,7,14,16,4,8,11,9,12,6,15,3,18,10,2/E:(2,3)(4,5)(6,7)(8,9)/rA:18nCSCCCCCCCNCCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16FNS |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.17127 |
Area: | 468.919 |
Solvation: | -2.5517 |
Coulombic: | -15.626 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.15 |
LogP (Chemaxon): | 4.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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