Chemical ID: 4976422

CCCC(=O)NC1c2ccccc2Oc3c1cccc3
Chemical ID:
4976422
Name [?]:
N-(9H-xanthen-9-yl)butanamide
SMILES [?]:
CCCC(=O)NC1c2ccccc2Oc3c1cccc3
InChi [?]:
InChI=1/C17H17NO2/c1-2-7-16(19)18-17-12-8-3-5-10-14(12)20-15-11-6-4-9-13(15)17/h3-6,8-11,17H,2,7H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,10,18,11,19,3,9,17,12,20,8,16,13,15,4,7,6,5,14/E:(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)/rA:20cCCCCONCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s7s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.96777
Area:454.76
Solvation:-2.40122
Coulombic:-30.924
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.322
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.28
LogP (Chemaxon):3.24

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