Molecule

ID:44520

General Information

Structure

MolImage

Molecular Formula

C₇H₉IN₂O

Molecular Mass

264.06363

Exact Mass

263.97596092

Charge

0

InChI

InChI=1S/C7H9IN2O/c1-10(2)7(11)6-3-5(8)4-9-6/h3-4,9H,1-2H3

InChIKey

CUXDOSZOJONZAA-UHFFFAOYSA-N

Canonic Smiles

CN(C(=O)c1[nH]cc(c1)I)C

Isomeric Smiles

c1(C(=O)N(C)C)cc(c[nH]1)I

Calculated Properties

JChem

Acid pKa

12.446318

H Acceptors

1

H Donor

1

LogD (pH = 5.5)

1.2000679

LogD (pH = 7.4)

1.2000642

Log P

1.200068

Molar Refractivity

52.9286

Polarizability

19.867268

Polar Surface Area

36.1

Rotatable Bonds

1

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Registration numbers

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

暂无数据

点击上传数据

References

Bioactivity