Molecule

ID:22382

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁N₃
Molecular Mass
171.28314
Exact Mass
171.17354769
Charge
0
InChI
InChI=1S/C9H21N3/c1-10-4-6-11(2)8-9-12(3)7-5-10/h4-9H2,1-3H3
InChIKey
WLDGDTPNAKWAIR-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(C)CCN(CC1)C
Isomeric Smiles
C1CN(CCN(CCN1C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-3.972616
LogD (pH = 7.4)
-2.3280385
Log P
0.05593357
Molar Refractivity
54.0573
Polarizability
21.17821
Polar Surface Area
9.72
Rotatable Bonds
0
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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