Name: (RS)-1-(7-methoxy-4,4-dimethyl-1,4-dihydro-indeno[2,1-c]pyrazol-1-yl)-propan-2-ol
SMILES:
COC1=C2C=c3c(cnn3CC(C)O)=C2C(C)(C)C=C1Molecular Processing
Molecular formula
C16H20N2O2
Molecular weight
272.35
Exact mass
272.1525
XLogP
0.71
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
77.99
Supplementary Information
Details werden geladen…
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