Molecule

ID:84009

General Information
Structure
Molecular Formula
C₁₀H₂₀ClN
Molecular Mass
189.7255
Exact Mass
189.12842733
Charge
0
InChI
InChI=1S/C10H19N.ClH/c1-9(2)7-4-5-10(9,3)8(11)6-7;/h7-8H,4-6,11H2,1-3H3;1H
InChIKey
XVVITZVHMWAHIG-UHFFFAOYSA-N
Canonic Smiles
NC1CC2C(C1(C)CC2)(C)C.Cl
Isomeric Smiles
NC1C2(C(C(C1)CC2)(C)C)C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.140725
LogD (pH = 7.4)
-0.70140266
Log P
1.8825761
Molar Refractivity
46.9718
Polarizability
19.244478
Polar Surface Area
26.02
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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