Chemical ID: 4699360

CCc1ccc(cc1)N2CCc3c2c4cccc(c4nc3C)OC
Chemical ID:
4699360
Name [?]:
None
SMILES [?]:
CCc1ccc(cc1)N2CCc3c2c4cccc(c4nc3C)OC
InChi [?]:
InChI=1/C21H22N2O/c1-4-15-8-10-16(11-9-15)23-13-12-17-14(2)22-20-18(21(17)23)6-5-7-19(20)24-3/h5-11H,4,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,24,2,16,15,17,4,8,5,7,11,10,21,3,6,12,14,18,19,13,20,9,23/E:(8,9)(10,11)/rA:24nCCCCCCCCNCCCCCCCCCCNCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s9s12;d13;s14;d15;s16;d17;s14s18;d19;d12s20;s21;s18;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H22N2O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.52415
Area:515.716
Solvation:-3.36874
Coulombic:-19.7536
Bond Count [?]
All:27
Single:19
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.412
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.0
LogP (Chemaxon):4.4

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