Chemical ID: 4790918

c1cc(oc1)CNc2ccc(cc2)Cl
Chemical ID:
4790918
Name [?]:
4-chloro-N-(2-furylmethyl)aniline
SMILES [?]:
c1cc(oc1)CNc2ccc(cc2)Cl
InChi [?]:
InChI=1/C11H10ClNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,10,12,9,13,5,6,11,8,3,14,7,4/E:(3,4)(5,6)/rA:14nCCCOCCNCCCCCCCl/rB:s1;d2;s3;d1s4;s3;s6;s7;s8;d9;s10;d11;d8s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10ClNO
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.51927
Area:389.932
Solvation:-2.22904
Coulombic:-19.7822
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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue