Chemical ID: 5144975

c1cocc1C=NNC(=O)NN=Cc2cc(oc2)[N+](=O)[O-]
Chemical ID:
5144975
Name [?]:
1-(3-furylmethyleneamino)-3-[(5-nitro-3-furyl)methyleneamino]urea
SMILES [?]:
c1cocc1C=NNC(=O)NN=Cc2cc(oc2)[N+](=O)[O-]
InChi [?]:
InChI=1/C11H9N5O5/c17-11(14-12-4-8-1-2-20-6-8)15-13-5-9-3-10(16(18)19)21-7-9/h1-7H,(H2,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,2,15,6,13,4,18,5,14,16,9,7,12,8,11,19,10,20,21,3,17/E:(18,19)/CRV:16.5/rA:21nCCOCCCNNCONNCCCCOCN+OO-/rB:d1;s2;s3;s1d4;s5;w6;s7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d14s17;s16;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H9N5O5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:0.879284
Area:485.027
Solvation:-11.2464
Coulombic:-56.1052
Bond Count [?]
All:22
Single:14
Double:8
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:291.22
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:1.64
LogP (Chemaxon):2.05

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Descriptor Annotations

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