Chemical ID: 5242465

CN1CCc2c1cc(c3c2N(CC3)C)c4ccco4
Chemical ID:
5242465
Name [?]:
None
SMILES [?]:
CN1CCc2c1cc(c3c2N(CC3)C)c4ccco4
InChi [?]:
InChI=1/C16H18N2O/c1-17-7-6-12-14(17)10-13(15-4-3-9-19-15)11-5-8-18(2)16(11)12/h3-4,9-10H,5-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,17,16,13,4,3,12,18,7,9,5,8,6,15,10,2,11,19/rA:19cCNCCCCCCCCNCCCCCCCO/rB:s1;s2;s3;s4;s2s5;d6;s7;d8;d5s9;s10;s11;s9s12;s11;s8;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:7.57292
Area:424.654
Solvation:-3.04343
Coulombic:-18.7563
Bond Count [?]
All:22
Single:17
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:254.327
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.77
LogP (Chemaxon):3.17

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