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Chemical ID: 4560180
Chemical ID:
4560180
Name [?]:
None
SMILES [?]:
COC(=O)C1Cc2c3ccccc3[nH]c2C(N1)c4ccc(cc4Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2/c1-25-19(24)16-9-13-11-4-2-3-5-15(11)22-18(13)17(23-16)12-7-6-10(20)8-14(12)21/h2-8,16-17,22-23H,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,11,9,12,20,19,22,6,21,8,18,7,23,13,5,16,15,3,25,24,14,17,4,2/rA:25cCOCOCCCCCCCCCNCCNCCCCCCClCl/rB:s1;s2;d3;s3;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;d7s14;s15;s5s16;s16;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.1005 |
Area: | 559.046 |
Solvation: | -2.87567 |
Coulombic: | -41.1699 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 375.248 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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