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Chemical ID: 5607782
Chemical ID:
5607782
Name [?]:
None
SMILES [?]:
c1cc2cccc3c2c(c1)C(=O)N(C3=O)CCCN(c4cccc(c4)F)C(=O)C56CC7CC(C5)CC(C7)C6
InChi [?]:
InChI=1/C32H31FN2O3/c33-24-7-3-8-25(16-24)34(31(38)32-17-20-13-21(18-32)15-22(14-20)19-32)11-4-12-35-29(36)26-9-1-5-23-6-2-10-27(28(23)26)30(35)37/h1-3,5-10,16,20-22H,4,11-15,17-19H2
InChi Info:
AuxInfo=1/0/N:1,5,22,17,2,4,23,21,10,6,18,16,32,35,37,25,34,30,38,33,31,36,3,24,20,9,7,8,11,14,27,29,26,19,13,12,15,28/E:(1,2)(5,6)(9,10)(13,14,15)(17,18,19)(20,21,22)(26,27)(29,30)(36,37)/rA:38nCCCCCCCCCCCONCOCCCNCCCCCCFCOCCCCCCCCCC/rB:s1;d2;s3;d4;s5;d6;s3s7;d8;d1s9;s9;d11;s11;s7s13;d14;s13;s16;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s19;d27;s27;s29;s30;s31;s32;s29s33;s33;s35;s31s36;s29s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C32H31FN2O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.0631 |
Area: | 671.045 |
Solvation: | -3.71306 |
Coulombic: | -49.8881 |
Bond Count [?]
All: | 44 |
Single: | 33 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 510.599 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 7.08 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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