Chemical ID: 3930845

c1c2cc3c(cc2nc(c1C#N)N4CCCCC4)OCO3
Chemical ID:
3930845
Name [?]:
None
SMILES [?]:
c1c2cc3c(cc2nc(c1C#N)N4CCCCC4)OCO3
InChi [?]:
InChI=1/C16H15N3O2/c17-9-12-6-11-7-14-15(21-10-20-14)8-13(11)18-16(12)19-4-2-1-3-5-19/h6-8H,1-5,10H2
InChi Info:
AuxInfo=1/0/N:16,15,17,14,18,1,3,6,11,20,2,10,7,4,5,9,12,8,13,21,19/E:(2,3)(4,5)/rA:21nCCCCCCCNCCCNNCCCCCOCO/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d1s9;s10;t11;s9;s13;s14;s15;s16;s13s17;s5;s19;s4s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N3O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.11468
Area:453.489
Solvation:-3.22256
Coulombic:-31.5277
Bond Count [?]
All:24
Single:18
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:281.309
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.41
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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