SMILES:
CCCCCN(CCCCC)c1ccc(N=C2C=C(C)C(=O)C(Cl)=C2N)cc1Molecular Processing
Molecular formula
C23H32ClN3O
Molecular weight
401.98
Exact mass
401.2234
XLogP
5.88
TPSA
58.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
28
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
120.63
Supplementary Information
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