Molecule

ID:74470

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
InChIKey
YNOGYQAEJGADFJ-UHFFFAOYSA-N
Canonic Smiles
NCC1CCCO1
Isomeric Smiles
O1CCCC1CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.193815
LogD (pH = 7.4)
-2.2470796
Log P
-0.20686984
Molar Refractivity
28.1735
Polarizability
11.428371
Polar Surface Area
35.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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