Molecule

ID:19099

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-2-16-8-10-17(11-9-16)14(12-15)13-6-4-3-5-7-13/h3-7,14H,2,8-12,15H2,1H3
InChIKey
MQWATGWNAABUOY-UHFFFAOYSA-N
Canonic Smiles
NCC(c1ccccc1)N1CCN(CC1)CC
Isomeric Smiles
N1(C(c2ccccc2)CN)CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.139584
LogD (pH = 7.4)
-1.047485
Log P
1.3813534
Molar Refractivity
73.0194
Polarizability
28.963522
Polar Surface Area
32.5
Rotatable Bonds
4
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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