Molecule

ID:3650

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₀N₂O₂
Molecular Mass
270.4109
Exact Mass
270.23072821
Charge
0
InChI
InChI=1S/C15H30N2O2/c1-14-11-17(12-15(2)19-14)10-8-6-4-3-5-7-9-16-13-18/h13-15H,3-12H2,1-2H3,(H,16,18)/t14-,15+
InChIKey
UXVBAZRPAJEAHR-GASCZTMLSA-N
Canonic Smiles
O=CNCCCCCCCCN1C[C@H](C)O[C@@H](C1)C
Isomeric Smiles
C1[C@@H](O[C@H](C)CN1CCCCCCCCNC=O)C
Calculated Properties
JChem
Acid pKa
16.357986
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6344548
LogD (pH = 7.4)
1.1332201
Log P
2.1335802
Molar Refractivity
78.7173
Polarizability
31.05375
Polar Surface Area
41.57
Rotatable Bonds
9
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.88
LOG S
-3.16
Solubility (Water)
1.85e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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