Chemical ID: 5326280

CSC(=N)NCCCC(C(=O)O)N
Chemical ID:
5326280
Name [?]:
2-amino-5-methylsulfanylcarbonimidoylamino-pentanoic acid
SMILES [?]:
CSC(=N)NCCCC(C(=O)O)N
InChi [?]:
InChI=1/C7H15N3O2S/c1-13-7(9)10-4-2-3-5(8)6(11)12/h5H,2-4,8H2,1H3,(H2,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,10,3,13,4,5,11,12,2/E:(11,12)/rA:13cCSCNNCCCCCOON/rB:s1;s2;w3;s3;s5;s6;s7;s8;s9;d10;s10;s9;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H15N3O2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:22.3422
Area:25.1959
Solvation:21.7123
Coulombic:0.0
Bond Count [?]
All:12
Single:10
Double:2
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:205.279
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:-1.85
LogP (Chemaxon):-3.0

Name Annotations

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Descriptor Annotations

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