Chemical ID: 4221998

c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
Chemical ID:
4221998
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
InChi [?]:
InChI=1/C14H9N3O/c1-2-6-10-9(5-1)15-13-14(17-10)18-12-8-4-3-7-11(12)16-13/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,15,14,6,3,16,13,5,4,17,12,8,9,7,18,10,11/rA:18nCCCCCCNCCNOCCCCCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;s12;d13;s14;d15;d12s16;s8s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.96236
Area:389.575
Solvation:-1.77702
Coulombic:-34.7435
Bond Count [?]
All:21
Single:13
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:235.241
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.95
LogP (Chemaxon):3.25

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Descriptor Annotations

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