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Chemical ID: 4363785
Chemical ID:
4363785
Name [?]:
4-[(4-chlorophenyl)methoxy]-3-ethoxy-benzaldehyde oxime
SMILES [?]:
CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NO
InChi [?]:
InChI=1/C16H16ClNO3/c1-2-20-16-9-13(10-18-19)5-8-15(16)21-11-12-3-6-14(17)7-4-12/h3-10,19H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,17,7,14,16,8,5,19,11,12,6,15,9,4,18,20,21,3,10/E:(3,4)(6,7)/rA:21nCCOCCCCCCOCCCCCCCClCNO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClNO3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.81827 |
Area: | 523.623 |
Solvation: | -5.2723 |
Coulombic: | -28.8601 |
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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