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Chemical ID: 5319207
Chemical ID:
5319207
Name [?]:
4-chloro-N-[(2-ethoxyphenyl)methyl]aniline
SMILES [?]:
CCOc1ccccc1CNc2ccc(cc2)Cl
InChi [?]:
InChI=1/C15H16ClNO/c1-2-18-15-6-4-3-5-12(15)11-17-14-9-7-13(16)8-10-14/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,14,16,13,17,10,9,15,12,4,18,11,3/E:(7,8)(9,10)/rA:18nCCOCCCCCCCNCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.28463 |
Area: | 470.408 |
Solvation: | -2.47556 |
Coulombic: | -21.5725 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 261.746 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.34 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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