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Chemical ID: 4396322
Chemical ID:
4396322
Name [?]:
4-benzyloxy-3-chloro-benzaldehyde oxime
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2Cl)C=NO
InChi [?]:
InChI=1/C14H12ClNO2/c15-13-8-12(9-16-17)6-7-14(13)18-10-11-4-2-1-3-5-11/h1-9,17H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,11,10,13,16,7,4,12,14,9,15,17,18,8/E:(2,3)(4,5)/rA:18nCCCCCCCOCCCCCCClCNO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;s12;w16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H12ClNO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02671 |
Area: | 454.432 |
Solvation: | -3.33409 |
Coulombic: | -22.6508 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.703 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.21 |
LogP (Chemaxon): | 3.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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