Chemical ID: 5573477

c1ccc2c(c1)ccc(n2)C(C#N)c3c(cccn3)[N+](=O)[O-]
Chemical ID:
5573477
Name [?]:
2-(3-nitro-2-pyridyl)-2-(2-quinolyl)acetonitrile
SMILES [?]:
c1ccc2c(c1)ccc(n2)C(C#N)c3c(cccn3)[N+](=O)[O-]
InChi [?]:
InChI=1/C16H10N4O2/c17-10-12(16-15(20(21)22)6-3-9-18-16)14-8-7-11-4-1-2-5-13(11)19-14/h1-9,12H
InChi Info:
AuxInfo=1/0/N:1,2,17,6,3,16,7,8,18,12,5,11,4,9,15,14,13,19,10,20,21,22/E:(21,22)/CRV:20.5/rA:22cCCCCCCCCCNCCNCCCCCNN+OO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;t12;s11;s14;d15;s16;d17;d14s18;s15;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H10N4O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:4.80452
Area:475.275
Solvation:-7.07735
Coulombic:-25.5641
Bond Count [?]
All:24
Single:14
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.276
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.02
LogP (Chemaxon):3.32

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