Chemical ID: 7644046

c1ccc-2c(c1)CC3c4c2c5c(cc4CCN3C=O)OCO5
Chemical ID:
7644046
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)CC3c4c2c5c(cc4CCN3C=O)OCO5
InChi [?]:
InChI=1/C18H15NO3/c20-9-19-6-5-12-8-15-18(22-10-21-15)17-13-4-2-1-3-11(13)7-14(19)16(12)17/h1-4,8-9,14H,5-7,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,15,16,7,13,18,21,5,14,4,8,12,9,10,11,17,19,20,22/rA:22cCCCCCCCCCCCCCCCCNCOOCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s4s9;d10;s11;d12;d9s13;s14;s15;s8s16;s17;d18;s12;s20;s11s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3
All Atoms:37
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:7.34002
Area:440.811
Solvation:-3.68026
Coulombic:-32.3646
Bond Count [?]
All:26
Single:19
Double:7
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.82
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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