Chemical ID: 3967190

CSCCC(C(=O)O)N
Chemical ID:
3967190
Name [?]:
2-amino-4-methylsulfanyl-butanoic acid
SMILES [?]:
CSCCC(C(=O)O)N
InChi [?]:
InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,4,3,5,6,9,7,8,2/E:(7,8)/rA:9cCSCCCCOON/rB:s1;s2;s3;s4;s5;d6;s6;s5;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H11NO2S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:6.09308
Area:320.17
Solvation:-1.91118
Coulombic:-39.9405
Bond Count [?]
All:8
Single:7
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:149.212
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-1.85
LogP (Chemaxon):-2.3

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Descriptor Annotations

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