Chemical ID: 3966605

CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O
Chemical ID:
3966605
Name [?]:
None
SMILES [?]:
CCc1cccc2c1[nH]c3c2CCOC3(CC)CC(=O)O
InChi [?]:
InChI=1/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,17,2,16,5,4,6,12,13,18,3,7,11,19,8,10,15,9,20,21,14/E:(19,20)/rA:21cCCCCCCCCNCCCCOCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7d10;s11;s12;s13;s10s14;s15;s16;s15;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H21NO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.29532
Area:453.34
Solvation:-3.03819
Coulombic:-46.3553
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:287.354
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.46
LogP (Chemaxon):3.14

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Descriptor Annotations

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