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Chemical ID: 5117820
Chemical ID:
5117820
Name [?]:
(2-morpholinophenyl)-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccccc2N3CCOCC3
InChi [?]:
InChI=1/C17H17NO2/c19-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)18-10-12-20-13-11-18/h1-9H,10-13H2
InChi Info:
AuxInfo=1/0/N:1,2,6,11,12,3,5,10,13,16,20,17,19,4,9,14,7,15,8,18/E:(2,3)(6,7)(10,11)(12,13)/rA:20nCCCCCCCOCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74505 |
Area: | 444.779 |
Solvation: | -3.37443 |
Coulombic: | -26.1356 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 267.322 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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