Chemical ID: 6657805

COc1ccc(cc1)NCC=C
Chemical ID:
6657805
Name [?]:
N-allyl-4-methoxy-aniline
SMILES [?]:
COc1ccc(cc1)NCC=C
InChi [?]:
InChI=1/C10H13NO/c1-3-8-11-9-4-6-10(12-2)7-5-9/h3-7,11H,1,8H2,2H3
InChi Info:
AuxInfo=1/0/N:12,1,11,5,7,4,8,10,6,3,9,2/E:(4,5)(6,7)/rA:12nCOCCCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.50892
Area:350.912
Solvation:-2.26389
Coulombic:-20.9561
Bond Count [?]
All:12
Single:8
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:163.216
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.2
LogP (Chemaxon):2.11

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