Chemical ID: 6584763

c1ccc2cc(ccc2c1)NC(=O)CC3(CCCCC3)CC(=O)O
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

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Descriptor Annotations

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