Chemical ID: 4105034

c1ccc(cc1)CNc2c3ccccc3nc4c2CCC4
Chemical ID:
4105034
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CNc2c3ccccc3nc4c2CCC4
InChi [?]:
InChI=1/C19H18N2/c1-2-7-14(8-3-1)13-20-19-15-9-4-5-11-17(15)21-18-12-6-10-16(18)19/h1-5,7-9,11H,6,10,12-13H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,20,3,5,11,19,14,21,7,4,10,18,15,17,9,8,16/E:(2,3)(7,8)/rA:21nCCCCCCCNCCCCCCCNCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d16;d9s17;s18;s19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.76419
Area:464.014
Solvation:-1.83615
Coulombic:-19.2049
Bond Count [?]
All:24
Single:16
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:274.36
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.83
LogP (Chemaxon):4.25

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