Molecule

ID:35816

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₅N
Molecular Mass
207.355
Exact Mass
207.19869981
Charge
0
InChI
InChI=1S/C14H25N/c1-2-15-4-3-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3
InChIKey
QZKOOZQAALGEBR-UHFFFAOYSA-N
Canonic Smiles
CCNCCC12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C12(CC3CC(C2)CC(C1)C3)CCNCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.35770726
LogD (pH = 7.4)
-0.046819795
Log P
2.8784802
Molar Refractivity
64.3815
Polarizability
25.890165
Polar Surface Area
12.03
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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