Chemical ID: 4925133

c1ccc(c(c1)c2c(n3ccccc3n2)N)[N+](=O)[O-]
Chemical ID:
4925133
Name [?]:
8-(2-nitrophenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
c1ccc(c(c1)c2c(n3ccccc3n2)N)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H10N4O2/c14-13-12(15-11-7-3-4-8-16(11)13)9-5-1-2-6-10(9)17(18)19/h1-8H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,6,3,13,10,5,4,14,7,8,16,15,9,17,18,19/E:(18,19)/CRV:17.5/rA:19nCCCCCCCCNCCCCCNNN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s8;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N4O2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:2.41869
Area:417.501
Solvation:-8.01883
Coulombic:-39.0368
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.244
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.39
LogP (Chemaxon):2.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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