Molecule

ID:11600

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉ClN₂
Molecular Mass
178.70286
Exact Mass
178.1236763
Charge
0
InChI
InChI=1S/C8H18N2.ClH/c1-3-8(2)10-6-4-9-5-7-10;/h8-9H,3-7H2,1-2H3;1H
InChIKey
FQPWYXYILAOKFW-UHFFFAOYSA-N
Canonic Smiles
CCC(N1CCNCC1)C.Cl
Isomeric Smiles
C1NCCN(C1)C(CC)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4587986
LogD (pH = 7.4)
-1.5363743
Log P
0.9501465
Molar Refractivity
44.4349
Polarizability
17.811394
Polar Surface Area
15.27
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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