Chemical ID: 5583921

Cc1c2ccc3ccccc3c2oc1C(=O)Nc4cccc(c4)C#N
Chemical ID:
5583921
Name [?]:
None
SMILES [?]:
Cc1c2ccc3ccccc3c2oc1C(=O)Nc4cccc(c4)C#N
InChi [?]:
InChI=1/C21H14N2O2/c1-13-17-10-9-15-6-2-3-8-18(15)20(17)25-19(13)21(24)23-16-7-4-5-14(11-16)12-22/h2-11H,1H3,(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,9,20,21,7,19,10,5,4,23,24,2,22,6,18,3,11,14,12,15,25,17,16,13/rA:25nCCCCCCCCCCCCOCCONCCCCCCCN/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s12;d2s13;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s22;t24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14N2O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1457
Area:534.859
Solvation:-2.22581
Coulombic:-36.617
Bond Count [?]
All:28
Single:17
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:326.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.18
LogP (Chemaxon):4.73

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Descriptor Annotations

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