General
Preferred name
Monobutyl Phthalate
Synonyms
P&D ID
PD065574
CAS
34-74-2
131-70-4
Tags
natural product
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
0
Organisms
1
Compound Sets
2
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
External IDs
26
Properties
(calculated by RDKit )
Molecular Weight
222.09
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
5
Ring Count
1
Aromatic Ring Count
1
cLogP
2.34
TPSA
63.6
Fraction CSP3
0.33
Chiral centers
0.0
Largest ring
6.0
QED
0.61
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Drug Metabolite
Source data