C1=CC(=CC=C1CC2=CC=C(C=C2)OCCCl)C3=NC=CO3
名称: 2-[4-[[4-(2-chloroethoxy)phenyl]methyl]phenyl]-1,3-oxazole
SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)OCCCl)C3=NC=CO3

Molecular Processing

Molecular formula
C18H16ClNO2
Molecular weight
313.78
Exact mass
313.087
XLogP
4.55
TPSA
35.26
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
87.4

Supplementary Information

InChIKey: QTNWWZUQZMBCJZ-UHFFFAOYSA-N
同義語
SCHEMBL3025747QTNWWZUQZMBCJZ-UHFFFAOYSA-N2-[4-[[4-(2-chloroethoxy)phenyl]methyl]phenyl]oxazole
出典を見る →
8 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→