Chemical ID: 5813877

c1ccc2c(c1)ccc3c2C4=C(CCC4)C(N3)c5ccncc5
Chemical ID:
5813877
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2C4=C(CCC4)C(N3)c5ccncc5
InChi [?]:
InChI=1/C21H18N2/c1-2-5-16-14(4-1)8-9-19-20(16)17-6-3-7-18(17)21(23-19)15-10-12-22-13-11-15/h1-2,4-5,8-13,21,23H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,14,6,3,15,13,7,8,19,23,20,22,5,18,4,11,12,9,10,16,21,17/E:(10,11)(12,13)/rA:23cCCCCCCCCCCCCCCCCNCCCNCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s13;s11s14;s12;s9s16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.86568
Area:474.539
Solvation:-1.9978
Coulombic:-18.7364
Bond Count [?]
All:27
Single:18
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:298.381
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.77
LogP (Chemaxon):3.62

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Descriptor Annotations

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