Chemical ID: 4217391

c1ccc(cc1)c2cc3c([nH]2)ccc4c3non4
Chemical ID:
4217391
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2cc3c([nH]2)ccc4c3non4
InChi [?]:
InChI=1/C14H9N3O/c1-2-4-9(5-3-1)13-8-10-11(15-13)6-7-12-14(10)17-18-16-12/h1-8,15H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,12,13,8,4,9,10,14,7,15,11,18,16,17/E:(2,3)(4,5)/rA:18nCCCCCCCCCCNCCCCNON/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;d12;s13;s9s14;d15;s16;d14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9N3O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.28575
Area:405.576
Solvation:-1.85365
Coulombic:-15.2371
Bond Count [?]
All:21
Single:13
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:235.241
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.88
LogP (Chemaxon):3.52

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Descriptor Annotations

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