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Chemical ID: 5202795
Chemical ID:
5202795
Name [?]:
2-dimethylamino-1-phenyl-propan-1-one
SMILES [?]:
CC(C(=O)c1ccccc1)N(C)C
InChi [?]:
InChI=1/C11H15NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,13,8,7,9,6,10,2,5,3,11,4/E:(2,3)(5,6)(7,8)/rA:13cCCCOCCCCCCNCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s2;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.45097 |
Area: | 352.708 |
Solvation: | -2.36674 |
Coulombic: | -14.4887 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.91 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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