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Chemical ID: 4798992
Chemical ID:
4798992
Name [?]:
None
SMILES [?]:
C=CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6)F
InChi [?]:
InChI=1/C28H19FN2O4/c1-2-14-30-21-11-7-6-10-20(21)28(27(30)34)23-24(32)19-15-18(29)12-13-22(19)35-25(23)26(33)31(28)16-17-8-4-3-5-9-17/h2-13,15H,1,14,16H2
InChi Info:
AuxInfo=1/0/N:1,2,32,31,33,8,7,30,34,9,6,20,21,3,18,28,29,19,17,10,5,22,14,15,24,25,12,11,35,4,27,16,26,13,23/E:(4,5)(8,9)/rA:35cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H19FN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.502 |
Area: | 621.364 |
Solvation: | -5.03212 |
Coulombic: | -57.3064 |
Bond Count [?]
All: | 40 |
Single: | 26 |
Double: | 14 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 466.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.12 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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