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Chemical ID: 7112572
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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