Molecule

ID:30080

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c1-8-7-16(3)9(2)13-11-6-10(15)4-5-12(11)17-14(8)13/h4-6,8-9H,7,15H2,1-3H3
InChIKey
QMKJMCYBXWJHIO-UHFFFAOYSA-N
Canonic Smiles
CN1CC(C)c2c(C1C)c1cc(N)ccc1o2
Isomeric Smiles
c12c(oc3c1cc(N)cc3)C(CN(C2C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.38021433
LogD (pH = 7.4)
1.3452576
Log P
1.8719268
Molar Refractivity
70.2749
Polarizability
27.63957
Polar Surface Area
42.4
Rotatable Bonds
0
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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