Molecule

ID:53233

General Information
Structure
Molecular Formula
C₁₀H₁₈N₄O
Molecular Mass
210.27612
Exact Mass
210.14806122
Charge
0
InChI
InChI=1S/C10H18N4O/c1-14(2)7-9-12-13-10(15-9)8-3-5-11-6-4-8/h8,11H,3-7H2,1-2H3
InChIKey
YDDCXJLDQCZFSN-UHFFFAOYSA-N
Canonic Smiles
CN(Cc1nnc(o1)C1CCNCC1)C
Isomeric Smiles
C1NCCC(C1)c1oc(nn1)CN(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-5.149689
LogD (pH = 7.4)
-3.158752
Log P
-0.8041086
Molar Refractivity
59.7256
Polarizability
22.4232
Polar Surface Area
54.19
Rotatable Bonds
3
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
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