Chemical ID: 4676133

c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
Chemical ID:
4676133
Name [?]:
1-(benzooxazol-2-ylmethyl)benzotriazole
SMILES [?]:
c1ccc2c(c1)nnn2Cc3nc4ccccc4o3
InChi [?]:
InChI=1/C14H10N4O/c1-3-7-12-10(5-1)16-17-18(12)9-14-15-11-6-2-4-8-13(11)19-14/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,15,2,16,6,14,3,17,10,5,13,4,18,11,12,7,8,9,19/rA:19nCCCCCCNNNCCNCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;d11;s12;s13;d14;s15;d16;d13s17;s11s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10N4O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.98093
Area:425.506
Solvation:-2.65673
Coulombic:-19.7965
Bond Count [?]
All:22
Single:14
Double:8
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:250.256
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.85
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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