Molecule

ID:125992

General Information
Structure
MolImage
Molecular Formula
C₂₅H₄₄N₂O
Molecular Mass
388.62966
Exact Mass
388.34536404
Charge
0
InChI
InChI=1S/C25H44N2O/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4/h7,19-23,28H,6,8-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey
FMTFZYKYVZBISL-HUVRVWIJSA-N
Canonic Smiles
CN(CCCN([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC=C2[C@]1(C)CC[C@@H](C2)O)C)C
Isomeric Smiles
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2N(C)CCCN(C)C)CC=C1[C@@]3(CC[C@@H](C1)O)C
Calculated Properties
JChem
Acid pKa
18.20429
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.2481742
LogD (pH = 7.4)
-0.1357826
Log P
3.5855281
Molar Refractivity
120.0925
Polarizability
47.327908
Polar Surface Area
26.71
Rotatable Bonds
5
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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