이름: 1-[3-cyclopropyl-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-3-methylbutan-1-ol
SMILES:
COc1ccc(-n2cc(C(O)CC(C)C)c(C3CC3)n2)cc1Molecular Processing
Molecular formula
C18H24N2O2
Molecular weight
300.4
Exact mass
300.1838
XLogP
3.84
TPSA
47.28
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
86.51
Supplementary Information
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