Chemical ID: 6497531

CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
Chemical ID:
6497531
Name [?]:
None
SMILES [?]:
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
InChi [?]:
InChI=1/C17H13N3O/c1-10-15-16(19-14-9-5-4-8-13(14)18-10)11-6-2-3-7-12(11)20-17(15)21/h2-9,19H,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,7,18,21,5,8,2,17,16,4,9,12,11,13,3,10,15,14/rA:21nCCNCCCCCCNCCCONCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s9;s10;s2d11;s12;d13;s13;s15;s11s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N3O
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:8.86572
Area:432.738
Solvation:-1.95275
Coulombic:-38.921
Bond Count [?]
All:24
Single:15
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:275.305
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.55
LogP (Chemaxon):2.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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