Molecule

ID:30559

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄ClN₃
Molecular Mass
175.65916
Exact Mass
175.08762514
Charge
0
InChI
InChI=1S/C7H13N3.ClH/c8-3-1-2-5-10-6-4-9-7-10;/h4,6-7H,1-3,5,8H2;1H
InChIKey
MCKIQXNKLSOCAJ-UHFFFAOYSA-N
Canonic Smiles
NCCCCn1cncc1.Cl
Isomeric Smiles
n1cn(cc1)CCCCN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6980364
LogD (pH = 7.4)
-2.813036
Log P
-0.14120954
Molar Refractivity
41.3693
Polarizability
15.952552
Polar Surface Area
43.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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