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Chemical ID: 7613471
Chemical ID:
7613471
Name [?]:
None
SMILES [?]:
COc1ccc2c(n1)c(c3ccc(cc3n2)Cl)Nc4cc(c(c(c4)CN5CCCC5)O)CN6CCCC6
InChi [?]:
InChI=1/C29H32ClN5O2/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,28,29,35,36,12,11,5,4,27,30,34,37,24,20,14,25,32,23,21,13,19,10,6,15,3,9,7,22,17,18,16,8,26,33,31,2/E:(2,3,4,5)(10,11,12,13)(14,15)(17,18)(19,20)(34,35)/rA:37nCOCCCCCNCCCCCCCNClNCCCCCCCNCCCCOCNCCCC/rB:s1;s2;s3;d4;s5;s6;d3s7;d7;s9;s10;d11;s12;d13;d10s14;d6s15;s13;s9;s18;s19;d20;s21;d22;d19s23;s23;s25;s26;s27;s28;s26s29;s22;s21;s32;s33;s34;s35;s33s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H32ClN5O2 |
All Atoms: | 69 |
Heavy Atoms: | 37 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 13.2705 |
Area: | 718.238 |
Solvation: | -4.68546 |
Coulombic: | -56.6024 |
Bond Count [?]
All: | 42 |
Single: | 32 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.9 |
LogP (Chemaxon): | None |
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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