Chemical ID: 4671871

c1ccc(cc1)C(c2ccccc2)N3CC(=O)C3
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

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