Chemical ID: 6685134

CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl
Chemical ID:
6685134
Name [?]:
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one
SMILES [?]:
CC(C)(C)C(=O)C(n1ccnc1)Oc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20-12-6-4-11(16)5-7-12/h4-10,14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,18,15,19,10,9,12,17,14,5,7,2,20,11,8,6,13/E:(1,2,3)(4,5)(6,7)/rA:20cCCCCCOCNCCNCOCCCCCCCl/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;s8d11;s7;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17ClN2O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.77041
Area:472.546
Solvation:-4.04324
Coulombic:-28.0523
Bond Count [?]
All:21
Single:15
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:292.76
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.25
LogP (Chemaxon):4.56

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Descriptor Annotations

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