Molecule

ID:119332

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₇ClN₂
Molecular Mass
270.84128
Exact Mass
270.18627655
Charge
0
InChI
InChI=1S/C15H26N2.ClH/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;/h12-15H,1-11H2;1H/t12?,13?,14-,15+;
InChIKey
RMSLOXMMNWLOAB-VZDLBMALSA-N
Canonic Smiles
C1CC[C@@H]2N(C1)CC1CC2CN2[C@@H]1CCCC2.Cl
Isomeric Smiles
N12[C@@H](C3CN4[C@H](C(C1)C3)CCCC4)CCCC2.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-3.3671618
LogD (pH = 7.4)
-0.38936847
Log P
2.0278275
Molar Refractivity
71.823
Polarizability
28.518066
Polar Surface Area
6.48
Rotatable Bonds
0
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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