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Chemical ID: 4218691
Chemical ID:
4218691
Name [?]:
N-(2,4-dimethylphenyl)-1-(2-ethoxyphenyl)-methanimine
SMILES [?]:
CCOc1ccccc1C=Nc2ccc(cc2C)C
InChi [?]:
InChI=1/C17H19NO/c1-4-19-17-8-6-5-7-15(17)12-18-16-10-9-13(2)11-14(16)3/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,18,2,7,6,8,5,14,13,16,10,15,17,9,12,4,11,3/rA:19nCCOCCCCCCCNCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19NO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.70572 |
Area: | 439.104 |
Solvation: | -2.27189 |
Coulombic: | -15.1787 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 253.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.38 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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