Molecule

ID:77659

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃ClN₂O
Molecular Mass
176.64392
Exact Mass
176.07164073
Charge
0
InChI
InChI=1S/C7H12N2O.ClH/c1-5(2)7-9-6(3-8)4-10-7;/h4-5H,3,8H2,1-2H3;1H
InChIKey
OVJYWQGFEKGXFC-UHFFFAOYSA-N
Canonic Smiles
NCc1coc(n1)C(C)C.Cl
Isomeric Smiles
n1c(C(C)C)occ1CN.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.984279
LogD (pH = 7.4)
-0.2977903
Log P
0.48896438
Molar Refractivity
38.3607
Polarizability
15.120738
Polar Surface Area
52.05
Rotatable Bonds
2
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
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References
Bioactivity
Navigation
[2-(propan-2-yl)-1,3-oxazol-4-yl]methanamine hydrochloride|4-(Aminomethyl)-2-isopropyl-1,3-oxazole hydrochloride|(2-isopropyl-1,3-oxazol-4-yl)methanamine hydrochloride | Molfinder