Molecule

ID:136251

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀NP
Molecular Mass
269.321161
Exact Mass
269.13333628
Charge
0
InChI
InChI=1S/C17H20NP/c1-3-9-16(10-4-1)19(14-15-8-7-13-18-15)17-11-5-2-6-12-17/h1-6,9-12,15,18H,7-8,13-14H2/t15-/m0/s1
InChIKey
IWRBGJKCDORZHK-HNNXBMFYSA-N
Canonic Smiles
C1CN[C@@H](C1)CP(c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)P(C[C@@H]1CCCN1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.09461735
LogD (pH = 7.4)
0.105656356
Log P
3.5092
Molar Refractivity
81.8365
Polarizability
32.71436
Polar Surface Area
12.03
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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