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Chemical ID: 7265108
Chemical ID:
7265108
Name [?]:
1-benzofuran-2-yl-2-(3H-quinazolin-4-ylidene)ethanone
SMILES [?]:
c1ccc2c(c1)cc(o2)C(=O)C=C3c4ccccc4N=CN3
InChi [?]:
InChI=1/C18H12N2O2/c21-16(18-9-12-5-1-4-8-17(12)22-18)10-15-13-6-2-3-7-14(13)19-11-20-15/h1-11H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,16,17,2,6,15,18,3,7,12,21,5,14,19,13,10,4,8,20,22,11,9/rA:22nCCCCCCCCOCOCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;d20;s13s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H12N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.29253 |
Area: | 478.377 |
Solvation: | -2.66689 |
Coulombic: | -34.7213 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 288.3 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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