Chemical ID: 5799702

c1ccc2c(c1)cccc2n3c(nnn3)NN=Cc4ccc5c(c4)OCO5
Chemical ID:
5799702
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyleneamino)-1-(1-naphthyl)tetrazol-5-amine
SMILES [?]:
c1ccc2c(c1)cccc2n3c(nnn3)NN=Cc4ccc5c(c4)OCO5
InChi [?]:
InChI=1/C19H14N6O2/c1-2-6-15-14(4-1)5-3-7-16(15)25-19(22-23-24-25)21-20-11-13-8-9-17-18(10-13)27-12-26-17/h1-11H,12H2,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,20,21,24,18,26,19,5,4,10,22,23,12,17,16,13,14,15,11,27,25/rA:27nCCCCCCCCCCNCNNNNNCCCCCCCOCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s13;s11d14;s12;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N6O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.81319
Area:538.256
Solvation:-3.64322
Coulombic:-34.991
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:358.354
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.42
LogP (Chemaxon):4.28

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