이름: 1
SMILES:
CCOC(=O)c1cnn2c1NC(c1ccccc1)CC2(C)CMolecular Processing
Molecular formula
C17H21N3O2
Molecular weight
299.37
Exact mass
299.1634
XLogP
3.35
TPSA
56.15
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
84.93
Supplementary Information
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