Chemical ID: 5180559

CCCCSCC(C(=O)O)N
Chemical ID:
5180559
Name [?]:
2-amino-3-butylsulfanyl-propanoic acid
SMILES [?]:
CCCCSCC(C(=O)O)N
InChi [?]:
InChI=1/C7H15NO2S/c1-2-3-4-11-5-6(8)7(9)10/h6H,2-5,8H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,6,7,8,11,9,10,5/E:(9,10)/rA:11cCCCCSCCCOON/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s7;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15NO2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:1
ZAP Information [?]
Total:7.33809
Area:371.57
Solvation:-1.95116
Coulombic:-40.5701
Bond Count [?]
All:10
Single:9
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:177.266
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-0.93
LogP (Chemaxon):-1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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