Chemical ID: 6703030

c1ccc(cc1)C23c4ccccc4C(=O)N2CC[NH2+]3
Chemical ID:
6703030
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C23c4ccccc4C(=O)N2CC[NH2+]3
InChi [?]:
InChI=1/C16H14N2O/c19-15-13-8-4-5-9-14(13)16(17-10-11-18(15)16)12-6-2-1-3-7-12/h1-9,17H,10-11H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,11,10,3,5,12,9,18,17,4,13,8,14,7,19,16,15/E:(2,3)(6,7)/rA:19cCCCCCCCCCCCCCCONCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s7s14;s16;s17;s7s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15N2O+
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-24.8917
Area:413.475
Solvation:-35.2286
Coulombic:20.0953
Bond Count [?]
All:22
Single:15
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:251.303
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.46
LogP (Chemaxon):3.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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