Chemical ID: 4255475

c1ccc(cc1)c2c3cc(ccc3[nH]c(=O)n2)Cl
Chemical ID:
4255475
Name [?]:
6-chloro-4-phenyl-1H-quinazolin-2-one
SMILES [?]:
c1ccc(cc1)c2c3cc(ccc3[nH]c(=O)n2)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:1,2,6,3,5,11,12,9,4,10,8,13,7,15,18,14,17,16/E:(2,3)(4,5)/rA:18nCCCCCCCCCCCCCNCONCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;d15;d7s15;s10;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9ClN2O
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.85876
Area:422.695
Solvation:-1.70862
Coulombic:-31.4966
Bond Count [?]
All:20
Single:12
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:256.687
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.02
LogP (Chemaxon):4.2

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