Chemical ID: 5149829

CC1(CC(Nn2c3ccccc3c4c2c1ccc4)CO)CO
Chemical ID:
5149829
Name [?]:
None
SMILES [?]:
CC1(CC(Nn2c3ccccc3c4c2c1ccc4)CO)CO
InChi [?]:
InChI=1/C18H20N2O2/c1-18(11-22)9-12(10-21)19-20-16-8-3-2-5-13(16)14-6-4-7-15(18)17(14)20/h2-8,12,19,21-22H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,17,11,18,16,8,3,19,21,4,12,13,15,7,14,2,5,6,20,22/rA:22cCCCCNNCCCCCCCCCCCCCOCO/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;s2d14;s15;d16;d13s17;s4;s19;s2;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:2
ZAP Information [?]
Total:7.37347
Area:451.198
Solvation:-3.90648
Coulombic:-46.113
Bond Count [?]
All:25
Single:19
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:296.364
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):3.15

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