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Chemical ID: 4777369
Chemical ID:
4777369
Name [?]:
1-(4-bromophenyl)-4-methyl-piperidine-2,6-dione
SMILES [?]:
CC1CC(=O)N(C(=O)C1)c2ccc(cc2)Br
InChi [?]:
InChI=1/C12H12BrNO2/c1-8-6-11(15)14(12(16)7-8)10-4-2-9(13)3-5-10/h2-5,8H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,14,11,15,3,9,2,13,10,4,7,16,6,5,8/E:(2,3)(4,5)(6,7)(11,12)(15,16)/rA:16nCCCCONCOCCCCCCCBr/rB:s1;s2;s3;d4;s4;s6;d7;s2s7;s6;s10;d11;s12;d13;d10s14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12BrNO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.18692 |
Area: | 399.143 |
Solvation: | -2.79167 |
Coulombic: | -23.5193 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 282.133 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.4 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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