Name: compound
SMILES:
COC(=O)CCN(CCCCN1CCCCC1)Cc1ccc(CNCc2ncc[nH]2)cc1Molecular Processing
Molecular formula
C25H39N5O2
Molecular weight
441.62
Exact mass
441.3104
XLogP
3.33
TPSA
73.49
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
14
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
127.01
Supplementary Information
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