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Chemical ID: 5601036
Chemical ID:
5601036
Name [?]:
N-benzylideneamino-2-(4-chloro-2-methyl-phenoxy)-acetamide
SMILES [?]:
Cc1cc(ccc1OCC(=O)NN=Cc2ccccc2)Cl
InChi [?]:
InChI=1/C16H15ClN2O2/c1-12-9-14(17)7-8-15(12)21-11-16(20)19-18-10-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,18,17,19,16,20,5,6,3,14,9,2,15,4,7,10,21,13,12,11,8/E:(3,4)(5,6)/rA:21nCCCCCCCOCCONNCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69405 |
Area: | 517.184 |
Solvation: | -5.23556 |
Coulombic: | -26.9454 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 302.755 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.52 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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