Molecule

ID:90076

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂
Molecular Mass
190.28472
Exact Mass
190.14699859
Charge
0
InChI
InChI=1S/C12H18N2/c1-11-9-13-7-8-14(11)10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-/m0/s1
InChIKey
JGEODYUVEMNPPY-NSHDSACASA-N
Canonic Smiles
C[C@H]1CNCCN1Cc1ccccc1
Isomeric Smiles
N1(CCNC[C@@H]1C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6167347
LogD (pH = 7.4)
-0.3128285
Log P
1.7952893
Molar Refractivity
59.7749
Polarizability
23.753328
Polar Surface Area
15.27
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
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Molecule Details
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References
Bioactivity
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