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Chemical ID: 4806970
Chemical ID:
4806970
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3CC=C
InChi [?]:
InChI=1/C23H18N2O4/c1-3-13-25-21(27)20-18(19(26)14-9-5-8-12-17(14)29-20)23(25)15-10-6-7-11-16(15)24(4-2)22(23)28/h3,5-12H,1,4,13H2,2H3
InChi Info:
AuxInfo=1/0/N:29,1,28,2,18,7,6,19,17,8,5,20,27,16,9,4,21,13,14,23,24,11,10,3,26,15,25,12,22/rA:29cCCNCCCCCCCCOCCOCCCCCCOCCONCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2O4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.1058 |
Area: | 549.054 |
Solvation: | -3.62054 |
Coulombic: | -53.8019 |
Bond Count [?]
All: | 33 |
Single: | 22 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 386.4 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.57 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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