Molecule

ID:20339

General Information

Structure

MolImage

Molecular Formula

C₁₁H₁₇NO

Molecular Mass

179.25878

Exact Mass

179.13101417

Charge

0

InChI

InChI=1S/C11H17NO/c1-3-4-7-13-11-6-5-10(12)8-9(11)2/h5-6,8H,3-4,7,12H2,1-2H3

InChIKey

JVWJLCVWFDMNCA-UHFFFAOYSA-N

Canonic Smiles

CCCCOc1ccc(cc1C)N

Isomeric Smiles

c1(c(ccc(c1)N)OCCCC)C

Calculated Properties

JChem

H Acceptors

2

H Donor

1

LogD (pH = 5.5)

2.5640888

LogD (pH = 7.4)

2.8194923

Log P

2.823969

Molar Refractivity

56.1364

Polarizability

21.285982

Polar Surface Area

35.25

Rotatable Bonds

4

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