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Chemical ID: 4260341
Chemical ID:
4260341
Name [?]:
6-chloro-4-phenyl-quinazolin-2-ol
SMILES [?]:
c1ccc(cc1)c2c3cc(ccc3nc(n2)O)Cl
InChi [?]:
InChI=1/C14H9ClN2O/c15-10-6-7-12-11(8-10)13(17-14(18)16-12)9-4-2-1-3-5-9/h1-8H,(H,16,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,12,9,4,10,8,13,7,15,18,14,16,17/E:(2,3)(4,5)/rA:18nCCCCCCCCCCCCCNCNOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;d7s15;s15;s10;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClN2O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.61108 |
Area: | 422.778 |
Solvation: | -1.95837 |
Coulombic: | -31.9725 |
Bond Count [?]
All: | 20 |
Single: | 12 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 256.687 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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