Chemical ID: 7101293

c1cc(c(c(c1)Cl)CNCc2cccs2)F
Chemical ID:
7101293
Name [?]:
1-(2-chloro-6-fluoro-phenyl)-N-(2-thienylmethyl)methanamine
SMILES [?]:
c1cc(c(c(c1)Cl)CNCc2cccs2)F
InChi [?]:
InChI=1/C12H11ClFNS/c13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9/h1-6,15H,7-8H2
InChi Info:
AuxInfo=1/0/N:1,13,12,6,2,14,10,8,11,4,5,3,7,16,9,15/rA:16nCCCCCCClCNCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;s11s14;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11ClFNS
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.66234
Area:430.509
Solvation:-2.10038
Coulombic:-15.1066
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:255.74
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.09
LogP (Chemaxon):3.42

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Descriptor Annotations

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