Chemical ID: 5187248

c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
Chemical ID:
5187248
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
InChi [?]:
InChI=1/C14H10N4O/c15-8-5-6-11-12(7-8)17-18-13(16-11)9-3-1-2-4-10(9)14(18)19/h1-7,17H,15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,11,10,13,12,5,4,9,14,7,17,19,8,15,16,18/rA:19nCCCCCCCNCCCCCCNNCON/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;s4s16;d17;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N4O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.22935
Area:415.474
Solvation:-2.15749
Coulombic:-45.3789
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:250.256
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.65
LogP (Chemaxon):2.24

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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