Name: 2-(1-chloroethyl)-6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-4-ol
SMILES:
CC(Cl)c1nc(O)c2c(n1)CCC(C)(C)C2Molecular Processing
Molecular formula
C12H17ClN2O
Molecular weight
240.73
Exact mass
240.1029
XLogP
3
TPSA
46.01
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
63.77
Supplementary Information
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