Molecule

ID:1341

General Information
Structure
Molecular Formula
C₂₃H₃₀N₂O
Molecular Mass
350.4971
Exact Mass
350.23581359
Charge
0
InChI
InChI=1S/C23H30N2O/c1-3-23(26)25(21-12-8-5-9-13-21)22-14-16-24(17-15-22)19(2)18-20-10-6-4-7-11-20/h4-13,19,22H,3,14-18H2,1-2H3
InChIKey
NGTVDHYUFBKWID-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)N(c1ccccc1)C1CCN(CC1)C(Cc1ccccc1)C
Isomeric Smiles
O=C(N(C1CCN(CC1)C(Cc1ccccc1)C)c1ccccc1)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0298215
LogD (pH = 7.4)
2.62199
Log P
4.232074
Molar Refractivity
107.9013
Polarizability
42.14634
Polar Surface Area
23.55
Rotatable Bonds
6
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.49
LOG S
-4.4
Solubility (Water)
1.40e-02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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