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Chemical ID: 5067989
Chemical ID:
5067989
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C3c4ccccc4C2C5C3C(=O)N(C5=O)NC(=O)c6cccc(c6)Cl
InChi [?]:
InChI=1/C25H17ClN2O3/c26-14-7-5-6-13(12-14)23(29)27-28-24(30)21-19-15-8-1-2-9-16(15)20(22(21)25(28)31)18-11-4-3-10-17(18)19/h1-12,19-22H,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,2,10,11,27,26,28,6,3,9,12,30,25,29,5,4,8,13,7,14,16,15,23,17,20,31,22,19,24,18,21/E:(1,2,3,4)(8,9,10,11)(15,16,17,18)(19,20)(21,22)(24,25)(30,31)/rA:31cCCCCCCCCCCCCCCCCCONCONCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s14;s7s15;s16;d17;s17;s15s19;d20;s19;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H17ClN2O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.545 |
Area: | 622.86 |
Solvation: | -4.02646 |
Coulombic: | -42.1163 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 428.867 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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