Chemical ID: 7105213

CSc1ccc(cc1)CNCc2ccc(cc2)F
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue