Chemical ID: 4257188

c1cc(c2c(c1)sc(n2)N)F
Chemical ID:
4257188
Name [?]:
4-fluorobenzothiazol-2-amine
SMILES [?]:
c1cc(c2c(c1)sc(n2)N)F
InChi [?]:
InChI=1/C7H5FN2S/c8-4-2-1-3-5-6(4)10-7(9)11-5/h1-3H,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,11,10,9,7/rA:11nCCCCCCSCNNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s3;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5FN2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.64702
Area:300.887
Solvation:-1.87517
Coulombic:-27.1108
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:168.192
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.28
LogP (Chemaxon):2.44

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Experimental Annotations

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Descriptor Annotations

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