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Chemical ID: 3994981
Chemical ID:
3994981
Name [?]:
4-[(4-chlorophenyl)methoxy]-3-methoxy-benzaldehyde oxime
SMILES [?]:
COc1cc(ccc1OCc2ccc(cc2)Cl)C=NO
InChi [?]:
InChI=1/C15H14ClNO3/c1-19-15-8-12(9-17-18)4-7-14(15)20-10-11-2-5-13(16)6-3-11/h2-9,18H,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,16,6,13,15,7,4,18,10,11,5,14,8,3,17,19,20,2,9/E:(2,3)(5,6)/rA:20nCOCCCCCCOCCCCCCCClCNO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s14;s5;w18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14ClNO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.03002 |
Area: | 495.589 |
Solvation: | -5.35971 |
Coulombic: | -28.5963 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 291.729 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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