Molecule

ID:14960

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₉N₃
Molecular Mass
263.42156
Exact Mass
263.23614794
Charge
0
InChI
InChI=1S/C16H29N3/c1-18-13-3-4-14(18)8-11(7-13)17-12-9-15-5-6-16(10-12)19(15)2/h11-17H,3-10H2,1-2H3
InChIKey
CZSXHODTHRRSOA-UHFFFAOYSA-N
Canonic Smiles
CN1C2CCC1CC(C2)NC1CC2CCC(C1)N2C
Isomeric Smiles
C12CCC(N1C)CC(C2)NC1CC2CCC(N2C)C1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-7.1973686
LogD (pH = 7.4)
-3.7645078
Log P
0.911397
Molar Refractivity
79.3584
Polarizability
31.885841
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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