Molecule

ID:67941

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClN₂
Molecular Mass
182.65004
Exact Mass
182.06107604
Charge
0
InChI
InChI=1S/C9H10N2.ClH/c1-7(11)9-4-2-3-8(5-9)6-10;/h2-5,7H,11H2,1H3;1H/t7-;/m0./s1
InChIKey
UMKDPZGKJZQZAY-FJXQXJEOSA-N
Canonic Smiles
N#Cc1cccc(c1)[C@@H](N)C.Cl
Isomeric Smiles
C(#N)c1cc(ccc1)[C@H](C)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.6222214
LogD (pH = 7.4)
-0.73436445
Log P
1.3716855
Molar Refractivity
44.6718
Polarizability
17.384668
Polar Surface Area
49.81
Rotatable Bonds
1
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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