Chemical ID: 7112572

c1ccc(cc1)c2ccc(o2)CNc3n[nH]nn3
Chemical ID:
7112572
Name [?]:
N-[(5-phenyl-2-furyl)methyl]-2H-tetrazol-5-amine
SMILES [?]:
c1ccc(cc1)c2ccc(o2)CNc3n[nH]nn3
InChi [?]:
InChI=1/C12H11N5O/c1-2-4-9(5-3-1)11-7-6-10(18-11)8-13-12-14-16-17-15-12/h1-7H,8H2,(H2,13,14,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,9,8,12,4,10,7,14,13,15,18,16,17,11/E:(2,3)(4,5)(14,15)(16,17)/rA:18nCCCCCCCCCCOCNCNNNN/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s10;s12;s13;d14;s15;s16;s14d17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11N5O
All Atoms:29
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.43351
Area:440.085
Solvation:-2.56862
Coulombic:-31.6055
Bond Count [?]
All:20
Single:13
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.249
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.64
LogP (Chemaxon):1.98

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Descriptor Annotations

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