Molecule

ID:88690

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₃N₃
Molecular Mass
197.32042
Exact Mass
197.18919775
Charge
0
InChI
InChI=1S/C11H23N3/c1-13-6-2-3-11(9-13)10-14-7-4-12-5-8-14/h11-12H,2-10H2,1H3
InChIKey
JNRZWBOVQVAUTC-UHFFFAOYSA-N
Canonic Smiles
CN1CCCC(C1)CN1CCNCC1
Isomeric Smiles
N1CCN(CC2CCCN(C2)C)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.2650323
LogD (pH = 7.4)
-3.6610525
Log P
0.18320471
Molar Refractivity
60.9138
Polarizability
24.131968
Polar Surface Area
18.51
Rotatable Bonds
2
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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