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Chemical ID: 6446929
Chemical ID:
6446929
Name [?]:
N-[(5-chloro-2-methoxy-phenyl)methyl]-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NCc2cc(ccc2OC)Cl
InChi [?]:
InChI=1/C15H16ClNO2/c1-18-14-6-4-13(5-7-14)17-10-11-9-12(16)3-8-15(11)19-2/h3-9,17H,10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,14,5,7,4,8,15,12,10,11,13,6,3,16,19,9,2,17/E:(4,5)(6,7)/rA:19nCOCCCCCCNCCCCCCCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s13;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05673 |
Area: | 480.821 |
Solvation: | -3.96379 |
Coulombic: | -27.2675 |
Bond Count [?]
All: | 20 |
Single: | 14 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 277.746 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.83 |
LogP (Chemaxon): | 3.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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