Molecule

ID:80278

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN₃O
Molecular Mass
291.77592
Exact Mass
291.11383989
Charge
0
InChI
InChI=1S/C15H18ClN3O/c1-11(16)15(20)19-9-7-18(8-10-19)14-4-2-3-13-12(14)5-6-17-13/h2-6,11,17H,7-10H2,1H3
InChIKey
KUAMAMZUHNQQKR-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCN(CC1)c1cccc2c1cc[nH]2)C(Cl)C
Isomeric Smiles
N1(CCN(c2c3c(ccc2)[nH]cc3)CC1)C(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
17.640436
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.35883
LogD (pH = 7.4)
2.3601568
Log P
2.3601737
Molar Refractivity
81.1415
Polarizability
31.85281
Polar Surface Area
39.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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