Chemical ID: 5257399

CCc1ccc2ccc3ccc(nc3c2n1)CC
Chemical ID:
5257399
Name [?]:
None
SMILES [?]:
CCc1ccc2ccc3ccc(nc3c2n1)CC
InChi [?]:
InChI=1/C16H16N2/c1-3-13-9-7-11-5-6-12-8-10-14(4-2)18-16(12)15(11)17-13/h5-10H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,2,17,7,8,5,10,4,11,6,9,3,12,15,14,16,13/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCCCCCNCCNCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;d3s15;s12;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H16N2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.52089
Area:424.51
Solvation:-2.09186
Coulombic:-11.5727
Bond Count [?]
All:20
Single:13
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:236.312
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.36
LogP (Chemaxon):3.82

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Descriptor Annotations

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