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Chemical ID: 6420012
Chemical ID:
6420012
Name [?]:
2-(9H-fluoren-2-ylcarbamoyl)terephthalic acid
SMILES [?]:
c1ccc-2c(c1)Cc3c2ccc(c3)NC(=O)c4cc(ccc4C(=O)O)C(=O)O
InChi [?]:
InChI=1/C22H15NO5/c24-20(19-11-13(21(25)26)5-7-18(19)22(27)28)23-15-6-8-17-14(10-15)9-12-3-1-2-4-16(12)17/h1-8,10-11H,9H2,(H,23,24)(H,25,26)(H,27,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,11,21,10,7,13,18,5,19,8,12,4,9,22,17,15,26,23,14,16,27,28,24,25/E:(25,26)(27,28)/rA:28nCCCCCCCCCCCCCNCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d23;s23;s19;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H15NO5 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.8969 |
Area: | 576.777 |
Solvation: | -4.52253 |
Coulombic: | -75.8827 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 373.358 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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