SMILES:
COc1cc2c(c(OC)c1C)N=CC1CCCN1C2=OMolecular Processing
Molecular formula
C15H18N2O3
Molecular weight
274.32
Exact mass
274.1317
XLogP
2.33
TPSA
51.13
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
76.49
Supplementary Information
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