Chemical ID: 5302799

c1ccc(c(c1)NCc2ccco2)Cl
Chemical ID:
5302799
Name [?]:
2-chloro-N-(2-furylmethyl)aniline
SMILES [?]:
c1ccc(c(c1)NCc2ccco2)Cl
InChi [?]:
InChI=1/C11H10ClNO/c12-10-5-1-2-6-11(10)13-8-9-4-3-7-14-9/h1-7,13H,8H2
InChi Info:
AuxInfo=1/0/N:2,1,11,10,3,6,12,8,9,4,5,14,7,13/rA:14nCCCCCCNCCCCCOCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.42597
Area:385.807
Solvation:-2.21921
Coulombic:-20.347
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.656
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.7
LogP (Chemaxon):2.86

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Descriptor Annotations

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