Chemical ID: 6127962

c1ccc(cc1)C(CCc2ccc3c(c2)OCCO3)N
Chemical ID:
6127962
Name [?]:
3-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-1-phenyl-propan-1-amine
SMILES [?]:
c1ccc(cc1)C(CCc2ccc3c(c2)OCCO3)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H19NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.04179
Area:475.914
Solvation:-2.85605
Coulombic:-31.3135
Bond Count [?]
All:22
Single:16
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:269.338
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.09
LogP (Chemaxon):2.98

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