CID 46052970
PubChem CID
46052970
Structure
Molecular Formula
Status
Non-live
Molecular Weight
314.36 g/mol
Dates
- Create:2010-06-22
Chemical Structure Depiction
N-[6-(1,4-diazepan-1-yl)pyridin-3-yl]-4-fluorobenzamide
InChI=1S/C17H19FN4O/c18-14-4-2-13(3-5-14)17(23)21-15-6-7-16(20-12-15)22-10-1-8-19-9-11-22/h2-7,12,19H,1,8-11H2,(H,21,23)
ADDUBVPEBGLGAP-UHFFFAOYSA-N
C1CNCCN(C1)C2=NC=C(C=C2)NC(=O)C3=CC=C(C=C3)F
C17H19FN4O
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
314.36 g/mol
Property Name
XLogP3-AA
Property Value
1.9
Property Name
Hydrogen Bond Donor Count
Property Value
2
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Property Name
Rotatable Bond Count
Property Value
3
Property Name
Exact Mass
Property Value
314.15428940 g/mol
Property Name
Monoisotopic Mass
Property Value
314.15428940 g/mol
Property Name
Topological Polar Surface Area
Property Value
57.3 A^2
Property Name
Heavy Atom Count
Property Value
23
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
387
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
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
Old substance
Old substance
Old substance
CONTENTS