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Chemical ID: 5254310
Chemical ID:
5254310
Name [?]:
1-hexyl-4-phenyl-azetidin-2-one
SMILES [?]:
CCCCCCN1C(CC1=O)c2ccccc2
InChi [?]:
InChI=1/C15H21NO/c1-2-3-4-8-11-16-14(12-15(16)17)13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,8,11-12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,15,14,16,5,13,17,6,9,12,8,10,7,11/E:(6,7)(9,10)/rA:17cCCCCCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s7s9;d10;s8;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H21NO |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.1839 |
Area: | 447.113 |
Solvation: | -1.99393 |
Coulombic: | -18.3626 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 231.333 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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