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Chemical ID: 6683972
Chemical ID:
6683972
Name [?]:
2-ethylamino-1-phenyl-propan-1-one
SMILES [?]:
CCNC(C)C(=O)c1ccccc1
InChi [?]:
InChI=1/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,11,10,12,9,13,4,8,6,3,7/E:(5,6)(7,8)/rA:13cCCNCCCOCCCCCC/rB:s1;s2;s3;s4;s4;d6;s6;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.00424 |
Area: | 366.811 |
Solvation: | -2.16605 |
Coulombic: | -18.4982 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 177.243 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.1 |
LogP (Chemaxon): | 1.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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