SMILES:
CC(C)OC(=O)NCCCCSc1cccc2nccn12Molecular Processing
Molecular formula
C15H21N3O2S
Molecular weight
307.42
Exact mass
307.1354
XLogP
3.34
TPSA
55.63
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
84.77
Supplementary Information
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