CID 39451382
PubChem CID
39451382
Structure
Molecular Formula
Status
Non-live
Molecular Weight
312.4 g/mol
Dates
- Create:2009-05-29
Chemical Structure Depiction
[(2S)-2-hydroxy-2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]-methylazanium
InChI=1S/C19H25N3O/c1-20-15-19(23)16-7-9-18(10-8-16)22-13-11-21(12-14-22)17-5-3-2-4-6-17/h2-10,19-20,23H,11-15H2,1H3/p+1/t19-/m1/s1
PDBUFURJXUTHCT-LJQANCHMSA-O
C[NH2+]C[C@H](C1=CC=C(C=C1)N2CCN(CC2)C3=CC=CC=C3)O
C19H26N3O+
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
312.4 g/mol
Property Name
XLogP3-AA
Property Value
2.4
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Property Name
Rotatable Bond Count
Property Value
5
Property Name
Exact Mass
Property Value
312.207587461 g/mol
Property Name
Monoisotopic Mass
Property Value
312.207587461 g/mol
Property Name
Topological Polar Surface Area
Property Value
43.3 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
1
Property Name
Complexity
Property Value
330
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
CONTENTS