CC(O)[C@@H](Cc1ccncc1)N(C(N)=S)C(C)(C)C
SMILES: CC(O)[C@@H](Cc1ccncc1)N(C(N)=S)C(C)(C)C

Molecular Processing

Molecular formula
C14H23N3OS
Molecular weight
281.43
Exact mass
281.1562
XLogP
1.72
TPSA
62.38
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
81.79

Supplementary Information

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