Chemical ID: 7104802

c1ccc(c(c1)CNCc2cccs2)F
Chemical ID:
7104802
Name [?]:
1-(2-fluorophenyl)-N-(2-thienylmethyl)methanamine
SMILES [?]:
c1ccc(c(c1)CNCc2cccs2)F
InChi [?]:
InChI=1/C12H12FNS/c13-12-6-2-1-4-10(12)8-14-9-11-5-3-7-15-11/h1-7,14H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,12,6,11,3,13,7,9,5,10,4,15,8,14/rA:15nCCCCCCCNCCCCCSF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;s10s13;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H12FNS
All Atoms:27
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.95713
Area:404.409
Solvation:-2.15309
Coulombic:-15.2224
Bond Count [?]
All:16
Single:11
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:221.295
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.47
LogP (Chemaxon):2.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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