SMILES:
COCC1NCC(C)N(Cc2ccc3c(N)ncnc3c2)C1=OMolecular Processing
Molecular formula
C16H21N5O2
Molecular weight
315.38
Exact mass
315.1695
XLogP
0.55
TPSA
93.37
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
87.63
Supplementary Information
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