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Chemical ID: 6584763
Chemical ID:
6584763
Name [?]:
2-[1-(2-naphthylcarbamoylmethyl)cyclohexyl]acetic acid
SMILES [?]:
c1ccc2cc(ccc2c1)NC(=O)CC3(CCCCC3)CC(=O)O
InChi [?]:
InChI=1/C20H23NO3/c22-18(13-20(14-19(23)24)10-4-1-5-11-20)21-17-9-8-15-6-2-3-7-16(15)12-17/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H,21,22)(H,23,24)
InChi Info:
AuxInfo=1/1/N:18,1,2,17,19,10,3,8,7,16,20,5,14,21,9,4,6,12,22,15,11,13,23,24/E:(4,5)(10,11)(23,24)/rA:24nCCCCCCCCCCNCOCCCCCCCCCOO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;d12;s12;s14;s15;s16;s17;s18;s15s19;s15;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H23NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3474 |
Area: | 518.283 |
Solvation: | -2.6097 |
Coulombic: | -48.2587 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.402 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.75 |
LogP (Chemaxon): | 4.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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