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Chemical ID: 7101293
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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