Chemical ID: 4941542

CN1CCc2cc(cc-3c2C1Cc4c3c(c(cc4)OC)O)O
Chemical ID:
4941542
Name [?]:
None
SMILES [?]:
CN1CCc2cc(cc-3c2C1Cc4c3c(c(cc4)OC)O)O
InChi [?]:
InChI=1/C18H19NO3/c1-19-6-5-11-7-12(20)9-13-16(11)14(19)8-10-3-4-15(22-2)18(21)17(10)13/h3-4,7,9,14,20-21H,5-6,8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,18,17,4,3,6,12,8,13,5,7,9,11,16,10,14,15,2,22,21,19/rA:22cCNCCCCCCCCCCCCCCCCOCOO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s2s10;s11;s12;s9s13;d14;s15;d16;d13s17;s16;s19;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:6.7856
Area:446.976
Solvation:-4.38881
Coulombic:-45.0119
Bond Count [?]
All:25
Single:19
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:297.348
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.19
LogP (Chemaxon):2.83

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