Chemical ID: 7579821

COc1cc2c3c(c1OC)-c4ccccc4CC3NCC2
Chemical ID:
7579821
Name [?]:
None
SMILES [?]:
COc1cc2c3c(c1OC)-c4ccccc4CC3NCC2
InChi [?]:
InChI=1/C18H19NO2/c1-20-15-10-12-7-8-19-14-9-11-5-3-4-6-13(11)17(16(12)14)18(15)21-2/h3-6,10,14,19H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,14,13,15,12,21,20,17,4,16,5,11,18,3,6,7,8,19,2,9/rA:21cCOCCCCCCOCCCCCCCCCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;d12;s13;d14;d11s15;s16;s6s17;s18;s19;s5s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19NO2
All Atoms:40
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:7.26933
Area:434.9
Solvation:-3.60317
Coulombic:-25.2757
Bond Count [?]
All:24
Single:18
Double:6
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.83
LogP (Chemaxon):None

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