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Chemical ID: 6301504
Chemical ID:
6301504
Name [?]:
[(5-aminotetrazol-1-yl)carbamoyl-phenyl-methyl] acetate
SMILES [?]:
CC(=O)OC(c1ccccc1)C(=O)Nn2c(nnn2)N
InChi [?]:
InChI=1/C11H12N6O3/c1-7(18)20-9(8-5-3-2-4-6-8)10(19)14-17-11(12)13-15-16-17/h2-6,9H,1H3,(H,14,19)(H2,12,13,16)
InChi Info:
AuxInfo=1/1/N:1,9,8,10,7,11,2,6,5,12,16,20,17,14,18,19,15,3,13,4/E:(3,4)(5,6)/rA:20cCCOOCCCCCCCCONNCNNNN/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s5;d12;s12;s14;s15;d16;s17;s15d18;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N6O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.50346 |
Area: | 469.22 |
Solvation: | -4.22704 |
Coulombic: | -56.7689 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 276.252 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -0.2 |
LogP (Chemaxon): | 0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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