Chemical ID: 7438726

c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
Chemical ID:
7438726
Name [?]:
3-[(3-phenyltriazol-4-yl)methyl]quinazolin-4-one
SMILES [?]:
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
InChi [?]:
InChI=1/C17H13N5O/c23-17-15-8-4-5-9-16(15)18-12-21(17)11-14-10-19-20-22(14)13-6-2-1-3-7-13/h1-10,12H,11H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,18,3,5,20,17,9,12,14,4,8,21,16,22,15,10,11,13,7,23/E:(2,3)(6,7)/rA:23nCCCCCCNCCNNCNCNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7d10;s8;s12;s13;d14;s15;s16;d17;s18;d19;d16s20;s13s21;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13N5O
All Atoms:36
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.07707
Area:459.663
Solvation:-3.4145
Coulombic:-25.8529
Bond Count [?]
All:26
Single:16
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:303.318
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.69
LogP (Chemaxon):1.75

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Descriptor Annotations

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