Chemical ID: 3994981

COc1cc(ccc1OCc2ccc(cc2)Cl)C=NO
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

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