Molecule

ID:21789

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈ClN
Molecular Mass
199.72032
Exact Mass
199.11277726
Charge
0
InChI
InChI=1S/C11H17N.ClH/c1-3-6-10-8-5-9-11(12-10)7-4-2;/h3-5,8,10-12H,1-2,6-7,9H2;1H/t10-,11-;/m0./s1
InChIKey
FJHGZAVMOHPRGN-ACMTZBLWSA-N
Canonic Smiles
C=CC[C@H]1CC=C[C@@H](N1)CC=C.Cl
Isomeric Smiles
N1[C@H](C=CC[C@@H]1CC=C)CC=C.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.61533517
LogD (pH = 7.4)
-0.034719177
Log P
2.6108296
Molar Refractivity
54.9738
Polarizability
21.143099
Polar Surface Area
12.03
Rotatable Bonds
4
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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