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Chemical ID: 7976708
Chemical ID:
7976708
Name [?]:
4-(2-diethylaminoethoxy)benzaldehyde oxime
SMILES [?]:
CCN(CC)CCOc1ccc(cc1)\C=N/O
InChi [?]:
InChI=1/C13H20N2O2/c1-3-15(4-2)9-10-17-13-7-5-12(6-8-13)11-14-16/h5-8,11,16H,3-4,9-10H2,1-2H3/b14-11-
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,13,10,14,6,7,15,12,9,16,3,17,8/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCNCCCCOCCCCCCCNO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s16;/rC:-.885,.8076,-2.038;-.9295,-.7187,-2.1346;-.0047,-1.2987,-1.1515;-.6577,-1.1869,.1596;.3645,-1.4639,1.2637;.0893,-2.7329,-1.4554;.9699,-2.936,-2.69;2.311,-2.546,-2.3878;3.0436,-2.7562,-3.5119;2.4316,-3.2576,-4.6538;3.1713,-3.4727,-5.7962;4.5384,-3.1854,-5.8052;5.1497,-2.6809,-4.6549;4.4017,-2.4638,-3.5183;5.3343,-3.4146,-7.026;4.7433,-3.7194,-8.136;3.3327,-3.6412,-8.2317;
Chemical Details
Atom Count
Formula: | C13H20N2O2 |
All Atoms: | 37 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.4143 |
Area: | 451.309 |
Solvation: | -3.86842 |
Coulombic: | -24.9777 |
Bond Count [?]
All: | 37 |
Single: | 33 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 236.31 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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