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Chemical ID: 6384761
Chemical ID:
6384761
Name [?]:
None
SMILES [?]:
c1ccc2cc3c(cc2c1)[nH]c(n3)c4cccc(c4)NC(=O)Cc5ccc(cc5)Cl
InChi [?]:
InChI=1/C25H18ClN3O/c26-20-10-8-16(9-11-20)12-24(30)27-21-7-3-6-19(13-21)25-28-22-14-17-4-1-2-5-18(17)15-23(22)29-25/h1-11,13-15H,12H2,(H,27,30)(H,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,16,10,3,15,17,25,29,26,28,23,19,8,5,24,9,4,14,27,18,7,6,21,12,30,20,11,13,22/E:(1,2)(4,5)(8,9)(10,11)(14,15)(17,18)(22,23)(28,29)/rA:30nCCCCCCCCCCNCNCCCCCCNCOCCCCCCCCl/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s7;s11;s6d12;s12;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H18ClN3O |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5345 |
Area: | 642.598 |
Solvation: | -3.53041 |
Coulombic: | -39.7409 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 411.883 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.94 |
LogP (Chemaxon): | 6.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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