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Chemical ID: 5144975
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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