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Chemical ID: 4289206
Chemical ID:
4289206
Name [?]:
None
SMILES [?]:
Cn1c2ccc(c3c2c(cc1=O)-c4ccccc4C3=O)Nc5cccc(c5)Cl
InChi [?]:
InChI=1/C23H15ClN2O2/c1-26-19-10-9-18(25-14-6-4-5-13(24)11-14)22-21(19)17(12-20(26)27)15-7-2-3-8-16(15)23(22)28/h2-12,25H,1H3
InChi Info:
AuxInfo=1/0/N:1,15,16,24,25,23,14,17,5,4,27,10,26,22,13,18,9,6,3,11,8,7,19,28,21,2,12,20/rA:28nCNCCCCCCCCCOCCCCCCCONCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s2s10;d11;s9;s13;d14;s15;d16;d13s17;s7s18;d19;s6;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H15ClN2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.836 |
Area: | 554.362 |
Solvation: | -3.02306 |
Coulombic: | -37.408 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 386.83 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.61 |
LogP (Chemaxon): | 5.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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