Chemical ID: 5575933

c1ccc2c(c1)CC3(c4ccccc4C=C3NC2=O)O
Chemical ID:
5575933
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CC3(c4ccccc4C=C3NC2=O)O
InChi [?]:
InChI=1/C17H13NO2/c19-16-13-7-3-1-6-12(13)10-17(20)14-8-4-2-5-11(14)9-15(17)18-16/h1-9,20H,10H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,12,2,11,13,6,3,10,15,7,14,5,4,9,16,18,8,17,19,20/rA:20cCCCCCCCCCCCCCCCCNCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s8d15;s16;s4s17;d18;s8;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:7.8611
Area:414.739
Solvation:-2.50738
Coulombic:-41.4588
Bond Count [?]
All:23
Single:15
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:263.291
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.27
LogP (Chemaxon):1.4

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Descriptor Annotations

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