|
0XM : Summary
Code
|
0XM
|
One-letter code
|
X
|
Molecule name
|
1,1-diphenylmethanamine
|
Systematic names
|
|
Formula
|
C13 H13 N
|
Formal charge
|
0
|
Molecular weight
|
183.249 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
c1(ccccc1)C(N)c2ccccc2 |
SMILES
|
CACTVS |
3.370 |
NC(c1ccccc1)c2ccccc2 |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)C(c2ccccc2)N |
Canonical SMILES
|
CACTVS |
3.370 |
NC(c1ccccc1)c2ccccc2 |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1ccc(cc1)C(c2ccccc2)N |
|
IUPAC InChI | InChI=1S/C13H13N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,14H2 |
IUPAC InChI key | MGHPNCMVUAKAIE-UHFFFAOYSA-N |
|
wwPDB Information |
Atom count
|
27 (14 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2012-08-29
|
Last modified at
|
2023-11-03
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|