CC(CCC(=O)O)OC1=CC=CC=C1Cl
名称: 4-(2-chlorophenoxy)pentanoic acid
SMILES: CC(CCC(=O)O)OC1=CC=CC=C1Cl

Molecular Processing

Molecular formula
C11H13ClO3
Molecular weight
228.68
Exact mass
228.0553
XLogP
2.97
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.41

Supplementary Information

InChIKey: NWHPBWZCJXCXRV-UHFFFAOYSA-N
同義語
4-(chlorophenoxy]pentanoic acidNWHPBWZCJXCXRV-UHFFFAOYSA-NAKOS011496345
出典を見る →
1 件の反応に参加→

拡張検索

部分構造検索→類似構造検索→