Chemical ID: 4686194

c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
Chemical ID:
4686194
Name [?]:
1-(2-phenyl-7-oxa-4-azabicyclo[4.3.0]nona-2,4,8,10-tetraen-3-yl)benzotriazole
SMILES [?]:
c1ccc(cc1)c2c3ccoc3cnc2n4c5ccccc5nn4
InChi [?]:
InChI=1/C19H12N4O/c1-2-6-13(7-3-1)18-14-10-11-24-17(14)12-20-19(18)23-16-9-5-4-8-15(16)21-22-23/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,6,20,19,3,5,21,18,9,10,13,4,8,22,17,12,7,15,14,23,24,16,11/E:(2,3)(6,7)/rA:24nCCCCCCCCCCOCCNCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d8s11;s12;d13;d7s14;s15;s16;s17;d18;s19;d20;d17s21;s22;s16d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12N4O
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:9.28079
Area:472.62
Solvation:-2.53472
Coulombic:-20.1132
Bond Count [?]
All:28
Single:17
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:312.325
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.97
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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