Chemical ID: 5674836

Cc1ccccc1Oc2ccc(cc2C#N)[N+](=O)[O-]
Chemical ID:
5674836
Name [?]:
2-(2-methylphenoxy)-5-nitro-benzonitrile
SMILES [?]:
Cc1ccccc1Oc2ccc(cc2C#N)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10N2O3/c1-10-4-2-3-5-13(10)19-14-7-6-12(16(17)18)8-11(14)9-15/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,3,6,11,10,13,15,2,14,12,7,9,16,17,18,19,8/E:(17,18)/CRV:16.5/rA:19nCCCCCCCOCCCCCCCNN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s11;d12;d9s13;s14;t15;s12;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:2.97145
Area:438.331
Solvation:-7.98683
Coulombic:-21.355
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.241
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.22
LogP (Chemaxon):3.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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