الاسم: methyl 4-[(hexahydro-1H-diazepin-1-yl)methyl]benzoate
SMILES:
COC(=O)c1ccc(CN2CCCCCN2)cc1Molecular Processing
Molecular formula
C14H20N2O2
Molecular weight
248.33
Exact mass
248.1525
XLogP
1.96
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
70.05
Supplementary Information
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