Chemical ID: 5265974

Cn1c2ccccc2nc1C(C#N)c3c(cccn3)[N](=O)O
Chemical ID:
5265974
Name [?]:
None
SMILES [?]:
Cn1c2ccccc2nc1C(C#N)c3c(cccn3)[N](=O)O
InChi [?]:
InChI=1/C15H12N5O2/c1-19-12-6-3-2-5-11(12)18-15(19)10(9-16)14-13(20(21)22)7-4-8-17-14/h2-8,10H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,17,7,4,16,18,12,11,8,3,15,14,10,13,19,9,2,20,21,22/E:(21,22)/CRV:20d/rA:22cCNCCCCCCNCCCNCCCCCNN.2OO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2d9;s10;s11;t12;s11;s14;d15;s16;d17;d14s18;s15;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H12N5O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:4.43454
Area:472.684
Solvation:-7.38257
Coulombic:-30.8967
Bond Count [?]
All:24
Single:15
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.288
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.44
LogP (Chemaxon):-0.96

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Descriptor Annotations

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