이름: compound
SMILES:
CCOc1ccc([N+](=O)[O-])cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1Molecular Processing
Molecular formula
C19H21N5O4
Molecular weight
383.41
Exact mass
383.1594
XLogP
3.36
TPSA
115.42
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
28
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
102.81
Supplementary Information
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