Molecule

ID:62348

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O
Molecular Mass
230.30552
Exact Mass
230.14191321
Charge
0
InChI
InChI=1S/C14H18N2O/c17-14-8-4-7-11-13(16-14)9-12(15-11)10-5-2-1-3-6-10/h1-3,5-6,11-13,15H,4,7-9H2,(H,16,17)/t11-,12-,13+/m1/s1
InChIKey
RVVMEYONXVHUPV-UPJWGTAASA-N
Canonic Smiles
O=C1CCC[C@@H]2[C@@H](N1)C[C@@H](N2)c1ccccc1
Isomeric Smiles
N1[C@H](C[C@@H]2NC(=O)CCC[C@@H]12)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.623376
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.929493
LogD (pH = 7.4)
-1.2780386
Log P
1.292765
Molar Refractivity
66.1029
Polarizability
26.337923
Polar Surface Area
41.13
Rotatable Bonds
1
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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