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Chemical ID: 7086278
Chemical ID:
7086278
Name [?]:
N-[(3-chlorophenyl)methyl]-4-ethoxy-aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2cccc(c2)Cl
InChi [?]:
InChI=1/C15H16ClNO/c1-2-18-15-8-6-14(7-9-15)17-11-12-4-3-5-13(16)10-12/h3-10,17H,2,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,15,6,8,5,9,17,11,12,16,7,4,18,10,3/E:(6,7)(8,9)/rA:18nCCOCCCCCCNCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO |
All Atoms: | 34 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51406 |
Area: | 476.26 |
Solvation: | -2.39244 |
Coulombic: | -21.5715 |
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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