Molecule

ID:109510

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅N₃
Molecular Mass
225.289
Exact Mass
225.1265975
Charge
0
InChI
InChI=1S/C14H15N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8,11H,15-16H2,1H3
InChIKey
IYAKONOQGRLRJQ-UHFFFAOYSA-N
Canonic Smiles
NC1C=Cc2c(=C1)n(C)c1c(c2)ccc(c1)N
Isomeric Smiles
Cn1c2=CC(N)C=Cc2cc2c1cc(N)cc2
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.0187879
LogD (pH = 7.4)
-0.60473156
Log P
0.9008445
Molar Refractivity
75.7128
Polarizability
26.789083
Polar Surface Area
55.28
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
Navigation
CAS 86-40-8|ACRIFLAVINE HYDROCHLORIDE|10-methyl-3,10-dihydroacridine-3,6-diamine|10-methyl-3H-acridine-3,6-diamine | Molfinder