Chemical ID: 4363785

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NO
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

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