COP(=O)(C(C1=CC=CC(=C1)C#N)OC2CCCCO2)OC
이름: 3-[dimethoxyphosphoryl(oxan-2-yloxy)methyl]benzonitrile
SMILES: COP(=O)(C(C1=CC=CC(=C1)C#N)OC2CCCCO2)OC

Molecular Processing

Molecular formula
C15H20NO5P
Molecular weight
325.3
Exact mass
325.1079
XLogP
3.59
TPSA
77.78
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
80.2

Supplementary Information

InChIKey: IOLNRKHZJUBRJJ-UHFFFAOYSA-N
동의어
SCHEMBL1847841IOLNRKHZJUBRJJ-UHFFFAOYSA-N[(3-cyano-phenyl)-(tetrahydro-pyran-2-yloxy)-methyl]phosphonic acid dimethyl ester
출처 보기 →
8개 반응에 참여→

확장 검색

부분 구조 검색→유사 구조 검색→