Molecule

ID:29931

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃O
Molecular Mass
195.26148
Exact Mass
195.13716218
Charge
0
InChI
InChI=1S/C10H17N3O/c1-7(2)9-12-10(14-13-9)8-3-5-11-6-4-8/h7-8,11H,3-6H2,1-2H3
InChIKey
QDRJZNBKSMAEIE-UHFFFAOYSA-N
Canonic Smiles
CC(c1noc(n1)C1CCNCC1)C
Isomeric Smiles
N1CCC(CC1)c1onc(n1)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5990888
LogD (pH = 7.4)
-0.5900688
Log P
1.7155007
Molar Refractivity
55.3722
Polarizability
20.818459
Polar Surface Area
50.95
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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