Chemical ID: 4674049

CC1C(=CC(=Cn2c3ccccc3nn2)O1)c4ccccc4
Chemical ID:
4674049
Name [?]:
1-[(5-methyl-4-phenyl-5H-furan-2-ylidene)methyl]benzotriazole
SMILES [?]:
CC1C(=CC(=Cn2c3ccccc3nn2)O1)c4ccccc4
InChi [?]:
InChI=1/C18H15N3O/c1-13-16(14-7-3-2-4-8-14)11-15(22-13)12-21-18-10-6-5-9-17(18)19-20-21/h2-13H,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,11,10,18,22,12,9,4,6,2,17,5,3,13,8,14,15,7,16/E:(3,4)(7,8)/rA:22cCCCCCCNCCCCCCNNOCCCCCC/rB:s1;s2;d3;s4;w5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s2s5;s3;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.9154
Area:491.718
Solvation:-2.37756
Coulombic:-15.5467
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:289.331
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.74
LogP (Chemaxon):3.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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