Molecule

ID:129206

General Information
Structure
MolImage
Molecular Formula
C₂₅H₃₇NO₂
Molecular Mass
383.56678
Exact Mass
383.28242943
Charge
0
InChI
InChI=1S/C25H37NO2/c1-24-14-15-26(3)23(16-19-9-11-21(28)17-22(19)24)25(24,2)13-12-20(27)10-8-18-6-4-5-7-18/h9,11,17-18,23,28H,4-8,10,12-16H2,1-3H3/t23-,24+,25?/m1/s1
InChIKey
LOYWOYCPSWPKFH-CSIQULDISA-N
Canonic Smiles
O=C(CCC1(C)[C@H]2Cc3c([C@]1(C)CCN2C)cc(cc3)O)CCC1CCCC1
Isomeric Smiles
O=C(CCC1CCCC1)CCC1([C@@H]2N(CC[C@]1(c1c(ccc(O)c1)C2)C)C)C
Calculated Properties
JChem
Acid pKa
7.561595
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5415995
LogD (pH = 7.4)
4.0743084
Log P
4.447064
Molar Refractivity
115.275
Polarizability
45.193474
Polar Surface Area
40.54
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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