SMILES:
CC1(C)N=CC2=C3N=C(C4CCCCC4)N=C3C(=O)C(CCCCl)C2C1=OMolecular Processing
Molecular formula
C21H26ClN3O2
Molecular weight
387.91
Exact mass
387.1714
XLogP
3.94
TPSA
71.22
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
107.99
Supplementary Information
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