Molecule

ID:81999

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆Cl₂N₂
Molecular Mass
199.12134
Exact Mass
198.06905388
Charge
0
InChI
InChI=1S/C7H14N2.2ClH/c8-7-5-9-3-1-6(7)2-4-9;;/h6-7H,1-5,8H2;2*1H
InChIKey
STZHBULOYDCZET-UHFFFAOYSA-N
Canonic Smiles
NC1CN2CCC1CC2.Cl.Cl
Isomeric Smiles
N12CCC(C(C1)N)CC2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.365421
LogD (pH = 7.4)
-3.3024318
Log P
-0.24980986
Molar Refractivity
37.8891
Polarizability
15.227027
Polar Surface Area
29.26
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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