이름: 201
SMILES:
CC(C)(C)OC(=O)N1CC=C(c2ccc(N)c([N+](=O)[O-])c2)CC1Molecular Processing
Molecular formula
C16H21N3O4
Molecular weight
319.36
Exact mass
319.1532
XLogP
3.2
TPSA
98.7
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
87.91
Supplementary Information
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