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Chemical ID: 6679988
Chemical ID:
6679988
Name [?]:
4-(9H-fluoren-9-ylmethoxycarbonylaminomethyl)benzoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)NCc4ccc(cc4)C(=O)O
InChi [?]:
InChI=1/C23H19NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,21,25,22,24,19,14,20,23,5,7,4,12,13,26,16,18,27,28,17,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)(19,20)(25,26)/rA:28nCCCCCCCCCCCCCCOCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19NO4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3819 |
Area: | 611.817 |
Solvation: | -2.91349 |
Coulombic: | -65.1531 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.401 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 4.48 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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