Chemical ID: 4916374

c1ccc2c(c1)nc3n2N=C4CCCC4C(=O)N3
Chemical ID:
4916374
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3n2N=C4CCCC4C(=O)N3
InChi [?]:
InChI=1/C13H12N4O/c18-12-8-4-3-6-9(8)16-17-11-7-2-1-5-10(11)14-13(17)15-12/h1-2,5,7-8H,3-4,6H2,(H,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,6,12,3,15,11,5,4,16,8,7,18,10,9,17/rA:18cCCCCCCNCNNCCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;d10;s11;s12;s13;s11s14;s15;d16;s8s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12N4O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:7.76957
Area:392.933
Solvation:-2.05375
Coulombic:-32.1145
Bond Count [?]
All:21
Single:15
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:240.261
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.87
LogP (Chemaxon):2.05

Name Annotations

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Descriptor Annotations

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