CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C=O
이름: 2-(4-heptoxyphenyl)pyrimidine-5-carbaldehyde
SMILES: CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C=O

Molecular Processing

Molecular formula
C18H22N2O2
Molecular weight
298.39
Exact mass
298.1681
XLogP
4.31
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.389
Molar refractivity
87.11

Supplementary Information

InChIKey: GJEVDLZFXXSCHE-UHFFFAOYSA-N
동의어
SCHEMBL7745594GJEVDLZFXXSCHE-UHFFFAOYSA-N2-(4-heptyloxy-phenyl)-pyrimidine-5-carboxaldehyde
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