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Chemical ID: 6639075
Chemical ID:
6639075
Name [?]:
2-[(4-chlorophenoxy)methyl]quinoline
SMILES [?]:
c1ccc2c(c1)ccc(n2)COc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H12ClNO/c17-13-6-9-15(10-7-13)19-11-14-8-5-12-3-1-2-4-16(12)18-14/h1-10H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,15,17,8,14,18,11,5,16,9,13,4,19,10,12/E:(6,7)(9,10)/rA:19nCCCCCCCCCNCOCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s12;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12ClNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.49612 |
Area: | 462.653 |
Solvation: | -2.07021 |
Coulombic: | -16.4015 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 269.725 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.46 |
LogP (Chemaxon): | 4.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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