Chemical ID: 7666583

CC(c1ccncc1)N2Cc3cccc(c3C2=O)C(=O)O
Chemical ID:
7666583
Name [?]:
None
SMILES [?]:
CC(c1ccncc1)N2Cc3cccc(c3C2=O)C(=O)O
InChi [?]:
InChI=1/C16H14N2O3/c1-10(11-5-7-17-8-6-11)18-9-12-3-2-4-13(16(20)21)14(12)15(18)19/h2-8,10H,9H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,12,14,4,8,5,7,10,2,3,11,15,16,17,19,6,9,18,20,21/E:(5,6)(7,8)(20,21)/rA:21cCCCCCNCCNCCCCCCCCOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;s10;s11;d12;s13;d14;d11s15;s9s16;d17;s15;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O3
All Atoms:35
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:7.23876
Area:455.022
Solvation:-4.1368
Coulombic:-47.9526
Bond Count [?]
All:23
Single:15
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.86
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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