UXG
1-(diphenylmethyl)azetidin-3-ol
Created: | 2020-06-03 |
Last modified: | 2020-06-17 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 37 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 1-(diphenylmethyl)azetidin-3-ol |
Systematic Name (OpenEye OEToolkits) | 1-(diphenylmethyl)azetidin-3-ol |
Formula | C16 H17 N O |
Molecular Weight | 239.312 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccccc1)C(c2ccccc2)N3CC(C3)O |
SMILES | CACTVS | 3.385 | OC1CN(C1)C(c2ccccc2)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)N3CC(C3)O |
Canonical SMILES | CACTVS | 3.385 | OC1CN(C1)C(c2ccccc2)c3ccccc3 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C(c2ccccc2)N3CC(C3)O |
InChI | InChI | 1.03 | InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2 |
InChIKey | InChI | 1.03 | MMAJXKGUZYDTHV-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 330448 |
ChEMBL | CHEMBL3763552 |
CCDC/CSD | DPMAZO10 |