Chemical ID: 6523896

c1ccc(c(c1)CSc2ccccc2N)F
Chemical ID:
6523896
Name [?]:
2-[(2-fluorophenyl)methylsulfanyl]aniline
SMILES [?]:
c1ccc(c(c1)CSc2ccccc2N)F
InChi [?]:
InChI=1/C13H12FNS/c14-11-6-2-1-5-10(11)9-16-13-8-4-3-7-12(13)15/h1-8H,9,15H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,10,7,5,4,14,9,16,15,8/rA:16nCCCCCCCSCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12FNS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.99088
Area:405.999
Solvation:-2.1591
Coulombic:-23.5934
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:233.306
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.55
LogP (Chemaxon):3.73

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Experimental Annotations

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Descriptor Annotations

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