Chemical ID: 7684068

c1ccc(cc1)c2nc(nn2c3ccc(cc3)Cl)C(=O)O
Chemical ID:
7684068
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2nc(nn2c3ccc(cc3)Cl)C(=O)O
InChi [?]:
InChI=1/C15H10ClN3O2/c16-11-6-8-12(9-7-11)19-14(10-4-2-1-3-5-10)17-13(18-19)15(20)21/h1-9H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,16,13,17,4,15,12,9,7,19,18,8,10,11,20,21/E:(2,3)(4,5)(6,7)(8,9)(20,21)/rA:21nCCCCCCCNCNNCCCCCCClCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;d9;s7s10;s11;s12;d13;s14;d15;d12s16;s15;s9;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10ClN3O2
All Atoms:31
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:9.99255
Area:479.951
Solvation:-2.00622
Coulombic:-44.5166
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.82
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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