Chemical ID: 5261319

c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
Chemical ID:
5261319
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2CCc4c(c(co4)C(=O)N)C3=O
InChi [?]:
InChI=1/C18H13NO3/c19-18(21)14-9-22-15-8-7-12-11-4-2-1-3-10(11)5-6-13(12)17(20)16(14)15/h1-6,9H,7-8H2,(H2,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,8,11,12,16,5,4,10,9,15,13,14,21,18,20,22,19,17/rA:22nCCCCCCCCCCCCCCCCOCONCO/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;d13;s14;d15;s13s16;s15;d18;s18;s9s14;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13NO3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.43076
Area:451.568
Solvation:-3.85845
Coulombic:-40.891
Bond Count [?]
All:25
Single:16
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:291.301
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.16
LogP (Chemaxon):2.16

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Descriptor Annotations

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