Molecule

ID:29654

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃ClN₂
Molecular Mass
302.84162
Exact Mass
302.15497643
Charge
0
InChI
InChI=1S/C18H23ClN2/c1-3-21(4-2)18-11-9-17(10-12-18)20-14-13-15-5-7-16(19)8-6-15/h5-12,20H,3-4,13-14H2,1-2H3
InChIKey
DTLJSXKJSJUXPB-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NCCc1ccc(cc1)Cl)CC
Isomeric Smiles
c1(N(CC)CC)ccc(NCCc2ccc(Cl)cc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9067335
LogD (pH = 7.4)
4.523724
Log P
4.884863
Molar Refractivity
94.35
Polarizability
35.047512
Polar Surface Area
15.27
Rotatable Bonds
7
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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