Molecule

ID:62167

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆Cl₂N₄O
Molecular Mass
349.29914
Exact Mass
348.14836683
Charge
0
InChI
InChI=1S/C15H24N4O.2ClH/c1-19(2)14(20)15(6-8-16-9-7-15)5-3-4-13-12-17-10-11-18-13;;/h10-12,16H,3-9H2,1-2H3;2*1H
InChIKey
ZMWWHGYAPSHQCJ-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1(CCCc2cnccn2)CCNCC1)C.Cl.Cl
Isomeric Smiles
C(=O)(C1(CCCc2nccnc2)CCNCC1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.2421727
LogD (pH = 7.4)
-2.6369262
Log P
-0.017262932
Molar Refractivity
78.3523
Polarizability
30.721289
Polar Surface Area
58.12
Rotatable Bonds
5
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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