Chemical ID: 4664825

c1ccc2c(c1)nnn2Cn3cccc3
Chemical ID:
4664825
Name [?]:
1-(pyrrol-1-ylmethyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2Cn3cccc3
InChi [?]:
InChI=1/C11H10N4/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,13,14,6,3,12,15,10,5,4,7,8,11,9/E:(3,4)(7,8)/rA:15nCCCCCCNNNCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N4
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.89154
Area:365.04
Solvation:-2.23447
Coulombic:-10.7786
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:198.224
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.99
LogP (Chemaxon):2.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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