Molecule

ID:46272

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉ClN₂O
Molecular Mass
312.87796
Exact Mass
312.19684124
Charge
0
InChI
InChI=1S/C17H28N2O.ClH/c1-3-19(4-2)16-8-5-9-17(13-16)20-12-10-15-7-6-11-18-14-15;/h5,8-9,13,15,18H,3-4,6-7,10-12,14H2,1-2H3;1H
InChIKey
ZPJNTPLMBDWIIW-UHFFFAOYSA-N
Canonic Smiles
CCN(c1cccc(c1)OCCC1CCCNC1)CC.Cl
Isomeric Smiles
c1(cc(OCCC2CNCCC2)ccc1)N(CC)CC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.11781276
LogD (pH = 7.4)
0.32693964
Log P
3.186162
Molar Refractivity
86.0224
Polarizability
33.222717
Polar Surface Area
24.5
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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