Molecule

ID:617

General Information
Structure
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Molecular Formula
C₂₅H₂₇ClN₂
Molecular Mass
390.94828
Exact Mass
390.18627655
Charge
0
InChI
InChI=1S/C25H27ClN2/c1-20-6-5-7-21(18-20)19-27-14-16-28(17-15-27)25(22-8-3-2-4-9-22)23-10-12-24(26)13-11-23/h2-13,18,25H,14-17,19H2,1H3
InChIKey
OCJYIGYOJCODJL-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(c1ccccc1)N1CCN(CC1)Cc1cccc(c1)C
Isomeric Smiles
Clc1ccc(C(N2CCN(CC2)Cc2cc(ccc2)C)c2ccccc2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7845445
LogD (pH = 7.4)
5.558482
Log P
6.3879414
Molar Refractivity
119.3922
Polarizability
46.576492
Polar Surface Area
6.48
Rotatable Bonds
5
Lipinski's Rule of Five
false
ALOGPS 2.1
Log P
5.59
LOG S
-5.58
Solubility (Water)
1.03e-03 g/l
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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