Chemical ID: 7694395

CCC1=C(C(C(=C(O1)N)C(=O)OC)c2cccnc2)C#N
Chemical ID:
7694395
Name [?]:
None
SMILES [?]:
CCC1=C(C(C(=C(O1)N)C(=O)OC)c2cccnc2)C#N
InChi [?]:
InChI=1/C15H15N3O3/c1-3-11-10(7-16)12(9-5-4-6-18-8-9)13(14(17)21-11)15(19)20-2/h4-6,8,12H,3,17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,13,2,16,15,17,20,19,14,4,3,5,6,7,10,21,9,18,11,12,8/rA:21cCCCCCCCONCOOCCCCCNCCN/rB:s1;s2;d3;s4;s5;d6;s3s7;s7;s6;d10;s10;s12;s5;s14;d15;s16;d17;d14s18;s4;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15N3O3
All Atoms:36
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:7.91299
Area:459.481
Solvation:-3.57405
Coulombic:-49.0996
Bond Count [?]
All:22
Single:15
Double:6
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.03
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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