Chemical ID: 4706042

CC1=CC(=O)Nc2cccc3c2n1nc3
Chemical ID:
4706042
Name [?]:
None
SMILES [?]:
CC1=CC(=O)Nc2cccc3c2n1nc3
InChi [?]:
InChI=1/C11H9N3O/c1-7-5-10(15)13-9-4-2-3-8-6-12-14(7)11(8)9/h2-6H,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,9,10,8,3,15,2,11,7,4,12,14,6,13,5/rA:15nCCCCONCCCCCCNNC/rB:s1;d2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s2s12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N3O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.28307
Area:344.02
Solvation:-2.31743
Coulombic:-24.4822
Bond Count [?]
All:17
Single:11
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:199.209
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.35
LogP (Chemaxon):0.82

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Descriptor Annotations

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