Chemical ID: 7156897

c1ccc(c(c1)N)SCc2cccc(c2)Cl
Chemical ID:
7156897
Name [?]:
2-[(3-chlorophenyl)methylsulfanyl]aniline
SMILES [?]:
c1ccc(c(c1)N)SCc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H12ClNS/c14-11-5-3-4-10(8-11)9-16-13-7-2-1-6-12(13)15/h1-8H,9,15H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,13,6,3,15,9,10,14,5,4,16,7,8/rA:16nCCCCCCNSCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s4;s8;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12ClNS
All Atoms:28
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.56065
Area:436.989
Solvation:-1.36408
Coulombic:-20.4855
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:249.76
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:4.01
LogP (Chemaxon):4.11

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Descriptor Annotations

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