Chemical ID: 3992036

c1ccc(c(c1)c2nc3ccccc3s2)N
Chemical ID:
3992036
Name [?]:
2-benzothiazol-2-ylaniline
SMILES [?]:
c1ccc(c(c1)c2nc3ccccc3s2)N
InChi [?]:
InChI=1/C13H10N2S/c14-10-6-2-1-5-9(10)13-15-11-7-3-4-8-12(11)16-13/h1-8H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,11,12,6,3,10,13,5,4,9,14,7,16,8,15/rA:16nCCCCCCCNCCCCCCSN/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s7s14;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2S
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.63842
Area:392.183
Solvation:-1.16617
Coulombic:-25.2828
Bond Count [?]
All:18
Single:11
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:226.298
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.65
LogP (Chemaxon):3.68

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Descriptor Annotations

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