SMILES:
O=C1Nc2ccccc2[SH]1CCCN1CCC(C2CCCCC2)CC1Molecular Processing
Molecular formula
C21H32N2OS
Molecular weight
360.57
Exact mass
360.2235
XLogP
5.27
TPSA
32.34
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
107.94
Supplementary Information
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