Chemical ID: 6639075

c1ccc2c(c1)ccc(n2)COc3ccc(cc3)Cl
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

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Descriptor Annotations

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