Chemical ID: 6301504

CC(=O)OC(c1ccccc1)C(=O)Nn2c(nnn2)N
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

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