CID 96024296
PubChem CID
96024296
Structure
Molecular Formula
Status
Non-live
Molecular Weight
243.31 g/mol
Dates
- Create:2015-12-11
Chemical Structure Depiction
(1R)-7,8-dimethyl-1-(tetrazol-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline
InChI=1S/C13H17N5/c1-9-3-4-11-5-6-14-12(13(11)10(9)2)7-18-8-15-16-17-18/h3-4,8,12,14H,5-7H2,1-2H3/t12-/m0/s1
ZXVDRAHIDVRVQA-LBPRGKRZSA-N
CC1=C(C2=C(CCN[C@H]2CN3C=NN=N3)C=C1)C
C13H17N5
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
243.31 g/mol
Property Name
XLogP3-AA
Property Value
1.4
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
243.14839556 g/mol
Property Name
Monoisotopic Mass
Property Value
243.14839556 g/mol
Property Name
Topological Polar Surface Area
Property Value
55.6 A^2
Property Name
Heavy Atom Count
Property Value
18
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
285
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