Chemical ID: 4536361

c1cc(ccc1c2ccc(o2)C=NNC(=N[N+](=O)[O-])N)n3cnnn3
Chemical ID:
4536361
Name [?]:
2-nitro-1-[[5-(4-tetrazol-1-ylphenyl)-2-furyl]methyleneamino]guanidine
SMILES [?]:
c1cc(ccc1c2ccc(o2)C=NNC(=N[N+](=O)[O-])N)n3cnnn3
InChi [?]:
InChI=1/C13H11N9O3/c14-13(18-22(23)24)17-15-7-11-5-6-12(25-11)9-1-3-10(4-2-9)21-8-16-19-20-21/h1-8H,(H3,14,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,9,8,12,22,6,3,10,7,15,20,13,23,14,16,24,25,21,17,18,19,11/E:(1,2)(3,4)(23,24)/CRV:22.5/rA:25nCCCCCCCCCCOCNNCNN+OO-NNCNNN/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s10;w12;s13;s14;w15;s16;d17;s17;s15;s3;s21;d22;s23;s21d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11N9O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.29669
Area:510.39
Solvation:-6.46306
Coulombic:-54.6571
Bond Count [?]
All:27
Single:17
Double:10
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:341.285
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.2
LogP (Chemaxon):1.59

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