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Chemical ID: 5254309
Chemical ID:
5254309
Name [?]:
1-benzyl-4-phenyl-azetidin-2-one
SMILES [?]:
c1ccc(cc1)CN2C(CC2=O)c3ccccc3
InChi [?]:
InChI=1/C16H15NO/c18-16-11-15(14-9-5-2-6-10-14)17(16)12-13-7-3-1-4-8-13/h1-10,15H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,10,7,4,13,9,11,8,12/E:(3,4)(5,6)(7,8)(9,10)/rA:18cCCCCCCCNCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s8s10;d11;s9;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.72276 |
Area: | 398.227 |
Solvation: | -2.2329 |
Coulombic: | -18.7301 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 237.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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