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Chemical ID: 7655487
Chemical ID:
7655487
Name [?]:
None
SMILES [?]:
COc1cccc(c1)C=NNC(=O)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C16H13Cl2N3O3/c1-24-12-4-2-3-10(7-12)9-19-21-16(23)15(22)20-11-5-6-13(17)14(18)8-11/h2-9H,1H3,(H,20,22)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,18,19,8,22,9,7,17,3,20,21,14,12,24,23,10,16,11,15,13,2/rA:24nCOCCCCCCCNNCOCONCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13Cl2N3O3 |
All Atoms: | 37 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.3835 |
Area: | 587.963 |
Solvation: | -4.31559 |
Coulombic: | -51.951 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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