COC(=O)CCC1=C(C=CC(=N1)C#CCCCO)O
이름: methyl 3-[3-hydroxy-6-(5-hydroxypent-1-ynyl)-2-pyridinyl]propanoate
SMILES: COC(=O)CCC1=C(C=CC(=N1)C#CCCCO)O

Molecular Processing

Molecular formula
C14H17NO4
Molecular weight
263.29
Exact mass
263.1158
XLogP
1.02
TPSA
79.65
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
69.44

Supplementary Information

InChIKey: VLHXJBDUDJZUOZ-UHFFFAOYSA-N
동의어
SCHEMBL8825403VLHXJBDUDJZUOZ-UHFFFAOYSA-N3-[3-hydroxy-6-(5-hydroxy-1-pentynyl)-2-pyridyl]-propionic acid methyl ester
출처 보기 →
2개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→