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Chemical ID: 4671871
Chemical ID:
4671871
Name [?]:
1-benzhydrylazetidin-3-one
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)N3CC(=O)C3
InChi [?]:
InChI=1/C16H15NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,16H,11-12H2
InChi Info:
AuxInfo=1/0/N:1,11,2,6,10,12,3,5,9,13,15,18,4,8,16,7,14,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)/rA:18nCCCCCCCCCCCCCNCCOC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;d16;s14s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.0118 |
Area: | 426.205 |
Solvation: | -2.64333 |
Coulombic: | -15.9802 |
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: | 2.46 |
LogP (Chemaxon): | 3.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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