Chemical ID: 7659846

CC1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
Chemical ID:
7659846
Name [?]:
None
SMILES [?]:
CC1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
InChi [?]:
InChI=1/C16H12N4O3/c1-16(14(21)18-11-4-2-3-5-12(11)22-16)15-19-13(20-23-15)10-6-8-17-9-7-10/h2-9H,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,8,9,7,10,19,23,20,22,18,6,11,15,3,13,2,21,5,14,16,4,12,17/E:(6,7)(8,9)/rA:23cCCCONCCCCCCOCNCNOCCCNCC/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s2s11;s2;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12N4O3
All Atoms:35
Heavy Atoms:23
Chiral Atoms:None
ZAP Information [?]
Total:9.03637
Area:480.008
Solvation:-2.96382
Coulombic:-48.3477
Bond Count [?]
All:26
Single:17
Double:9
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.63
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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