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Chemical ID: 4363311
Chemical ID:
4363311
Name [?]:
4-[(2-chlorophenyl)methoxy]-3-ethoxy-benzaldehyde oxime
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2Cl)C=NO
InChi [?]:
InChI=1/C16H16ClNO3/c1-2-20-16-9-12(10-18-19)7-8-15(16)21-11-13-5-3-4-6-14(13)17/h3-10,19H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,15,13,16,7,8,5,19,11,6,12,17,9,4,18,20,21,3,10/rA:21nCCOCCCCCCOCCCCCCCClCNO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s6;w19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.1258 |
Area: | 512.242 |
Solvation: | -4.68025 |
Coulombic: | -29.5263 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 305.756 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.28 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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