الاسم: 5-(9-cyclopentyl-non-1-enyl)-2-(4-heptyloxy-phenyl)-pyrimidine
SMILES:
CCCCCCCOc1ccc(-c2ncc(C=CCCCCCCCC3CCCC3)cn2)cc1Molecular Processing
Molecular formula
C31H46N2O
Molecular weight
462.72
Exact mass
462.361
XLogP
9.43
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
17
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.613
Molar refractivity
145.03
Supplementary Information
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