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Chemical ID: 4395983
Chemical ID:
4395983
Name [?]:
2-ethoxynaphthalene-1-carbaldehyde oxime
SMILES [?]:
CCOc1ccc2ccccc2c1C=NO
InChi [?]:
InChI=1/C13H13NO2/c1-2-16-13-8-7-10-5-3-4-6-11(10)12(13)9-14-15/h3-9,15H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,9,10,8,11,6,5,14,7,12,13,4,15,16,3/rA:16nCCOCCCCCCCCCCCNO/rB:s1;s2;s3;s4;d5;s6;s7;d8;s9;d10;d7s11;d4s12;s13;w14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.2991 |
Area: | 386.923 |
Solvation: | -3.37397 |
Coulombic: | -20.4181 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 215.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.56 |
LogP (Chemaxon): | 2.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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