Name: 6-cyano-3,4-dihydro-2,2-dimethyl-4-(2-hydroxycyclopentan-1-yl)-2H-1,4-benzoxazine
SMILES:
CC1(C)CN(C2CCCC2O)c2cc(C#N)ccc2O1Molecular Processing
Molecular formula
C16H20N2O2
Molecular weight
272.35
Exact mass
272.1525
XLogP
2.45
TPSA
56.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
76.86
Supplementary Information
Details werden geladen…
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